 Entering Gaussian System, Link 0=g16
 Input=07_transpinane_STD_B3LYPDBJ-def2SVPDr.in
 Output=07_transpinane_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/07_transpinane_STD/Gau-31006.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/07_transpinane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31008.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=07_transpinane_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "07_transpinane_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.528880000000      1.093729000000      0.246966000000
  C                                                -1.321456000000     -0.416759000000      0.534617000000
  C                                                -0.251555000000      1.852797000000     -0.188359000000
  C                                                 0.770710000000      0.903021000000     -0.813047000000
  C                                                 1.207111000000     -0.195282000000      0.209826000000
  C                                                -0.097064000000     -0.937248000000     -0.228322000000
  C                                                 0.020234000000     -0.208022000000     -1.592788000000
  H                                                -1.986528000000      1.578225000000      1.111675000000
  C                                                -2.579256000000     -1.209394000000      0.185867000000
  H                                                -1.133681000000     -0.556858000000      1.602321000000
  H                                                 1.569849000000      1.446260000000     -1.321922000000
  C                                                 1.387674000000      0.189094000000      1.672498000000
  C                                                 2.463556000000     -0.935948000000     -0.249050000000
  H                                                -0.064495000000     -2.029648000000     -0.222695000000
  H                                                 0.653697000000     -0.734184000000     -2.301610000000
  H                                                -0.904266000000      0.071251000000     -2.098034000000
  H                                                 0.543396000000      0.733850000000      2.089372000000
  H                                                 2.274733000000      0.817174000000      1.790633000000
  H                                                 1.536666000000     -0.704580000000      2.284391000000
  H                                                 2.414606000000     -1.247642000000     -1.291582000000
  H                                                 2.620603000000     -1.831637000000      0.357494000000
  H                                                 3.344630000000     -0.299271000000     -0.134439000000
  H                                                -2.262427000000      1.175948000000     -0.557656000000
  H                                                -0.525798000000      2.622427000000     -0.914283000000
  H                                                 0.202587000000      2.377960000000      0.654229000000
  H                                                -2.781972000000     -1.167070000000     -0.887575000000
  H                                                -3.453499000000     -0.808443000000      0.704109000000
  H                                                -2.474549000000     -2.259702000000      0.466325000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     28 NQM=       28 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28
 IAtWgt=           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.551561   0.000000
     3  C    1.548306   2.611181   0.000000
     4  C    2.539313   2.816944   1.528835   0.000000
     5  C    3.024661   2.558944   2.545758   1.563005   0.000000
     6  C    2.529993   1.533662   2.794605   2.116961   1.563125
     7  C    2.734777   2.523798   2.508638   1.551008   2.158299
     8  H    1.091742   2.180660   2.185317   3.429696   3.762710
     9  C    2.532074   1.527075   3.864615   4.084409   3.919894
    10  H    2.172005   1.093105   3.129076   3.404696   2.747560
    11  H    3.491104   3.908609   2.183518   1.092101   2.274311
    12  C    3.369984   3.000203   2.986263   2.658622   1.523075
    13  C    4.506125   3.900001   3.892635   2.562348   1.528989
    14  H    3.481449   2.180570   3.887100   3.105902   2.273534
    15  H    3.821014   3.470760   3.460893   2.215841   2.627545
    16  H    2.633368   2.709807   2.691987   2.269048   3.139295
    17  H    2.796122   2.686789   2.659332   2.916218   2.199204
    18  H    4.114227   4.004091   3.372100   3.008090   2.159591
    19  H    4.096656   3.363541   3.981508   3.572841   2.161437
    20  H    4.837378   4.240699   4.235356   2.748953   2.195389
    21  H    5.078208   4.192026   4.703435   3.502945   2.167354
    22  H    5.083013   4.715273   4.191283   2.920801   2.167561
    23  H    1.091910   2.148302   2.153627   3.056081   3.808805
    24  H    2.166008   3.459629   1.092934   2.155815   3.493720
    25  H    2.193876   3.185509   1.091786   2.156643   2.797881
    26  H    2.822877   2.172258   4.001438   4.112466   4.249876
    27  H    2.744339   2.174339   4.258068   4.803625   4.726687
    28  H    3.491118   2.175023   4.720483   4.708643   4.228740
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.551547   0.000000
     8  H    3.419542   3.812072   0.000000
     9  C    2.531184   3.305103   2.996542   0.000000
    10  H    2.137879   3.414957   2.350885   2.126460   0.000000
    11  H    3.107357   2.282832   4.311337   5.151796   4.457887
    12  C    2.661994   3.562259   3.691808   4.461208   2.630323
    13  C    2.560704   2.881897   5.289224   5.068913   4.063422
    14  H    1.092900   2.280933   4.300175   2.676521   2.577393
    15  H    2.214362   1.086531   4.895767   4.106745   4.297306
    16  H    2.272547   1.089939   3.707357   3.108351   3.760290
    17  H    2.928218   3.836551   2.840665   4.141314   2.171574
    18  H    3.574856   4.193010   4.381612   5.499406   3.679771
    19  H    3.006149   4.192690   4.358825   4.647521   2.760035
    20  H    2.745060   2.627651   5.755966   5.207972   4.630572
    21  H    2.920415   3.633407   5.781142   5.239769   4.155635
    22  H    3.501583   3.631352   5.787835   6.001945   4.810193
    23  H    3.043494   2.863112   1.739141   2.518544   2.990349
    24  H    3.650430   2.961412   2.707138   4.484403   4.100082
    25  H    3.443732   3.430691   2.375091   4.563674   3.361197
    26  H    2.774196   3.044578   3.488033   1.093235   3.047754
    27  H    3.485925   4.207501   2.830954   1.092537   2.500327
    28  H    2.807820   3.830572   3.922286   1.092139   2.447058
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.252723   0.000000
    13  C    2.761283   2.472972   0.000000
    14  H    3.995162   3.259351   2.754617   0.000000
    15  H    2.559972   4.145443   2.743957   2.552629   0.000000
    16  H    2.935003   4.414044   3.971828   2.938688   1.765621
    17  H    3.632914   1.087818   3.455931   3.654053   4.631200
    18  H    3.252785   1.093304   2.696182   4.198794   4.667004
    19  H    4.199132   1.093282   2.707578   3.256532   4.670323
    20  H    2.823410   3.450300   1.089230   2.810693   2.093943
    21  H    3.830030   2.707896   1.093077   2.754193   3.484818
    22  H    2.758050   2.707988   1.093062   3.824150   3.482370
    23  H    3.917079   4.389841   5.185582   3.901147   3.897917
    24  H    2.437473   4.034095   4.694764   4.725769   3.818733
    25  H    2.577333   2.689319   4.112162   4.501926   4.315776
    26  H    5.094752   5.077313   5.289300   2.927591   3.740415
    27  H    5.867070   5.036846   5.994690   3.719631   5.090081
    28  H    5.769674   4.729505   5.162264   2.517148   4.446863
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.479858   0.000000
    18  H    5.077811   1.758896   0.000000
    19  H    5.075994   1.758891   1.761895   0.000000
    20  H    3.661250   4.342648   3.712557   3.721999   0.000000
    21  H    4.698436   3.727722   3.031454   2.481554   1.761515
    22  H    4.695328   3.722847   2.469217   3.046924   1.761628
    23  H    2.331892   3.882634   5.121426   5.103599   5.318559
    24  H    2.837781   3.705650   4.291676   5.055121   4.875014
    25  H    3.757789   2.208820   2.832182   3.733530   4.671638
    26  H    2.554296   4.851163   6.056425   5.378280   5.212882
    27  H    3.889017   4.502532   6.052752   5.235439   6.213721
    28  H    3.804611   4.550124   5.811767   4.670505   5.293235
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764755   0.000000
    23  H    5.807499   5.813301   0.000000
    24  H    5.599638   4.911689   2.288092   0.000000
    25  H    4.863698   4.202618   2.998298   1.746579   0.000000
    26  H    5.583875   6.233421   2.422500   4.410365   4.883850
    27  H    6.169423   6.868550   2.636003   4.791815   4.850012
    28  H    5.114260   6.169850   3.591270   5.434969   5.358197
                   26         27         28
    26  H    0.000000
    27  H    1.764375   0.000000
    28  H    1.766748   1.766646   0.000000
 Stoichiometry    C10H18
 Framework group  C1[X(C10H18)]
 Deg. of freedom    78
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.82D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9658786           1.1625021           1.0803891
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     15     16     17     18     19     20
 Centers:      21     22     23     24     25     26     27     28
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9     12     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   364 symmetry adapted cartesian basis functions of A   symmetry.
 There are   344 symmetry adapted basis functions of A   symmetry.
   344 basis functions,   500 primitive gaussians,   364 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       595.1708560182 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   28 NActive=   28 NUniq=   28 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0517708795 Hartrees.
 Nuclear repulsion after empirical dispersion term =      595.1190851388 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:04 2021, MaxMem=  5637144576 cpu:               6.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   344 RedAO= T EigKep=  1.29D-05  NBF=   344
 NBsUse=   344 1.00D-06 EigRej= -1.00D+00 NBFU=   344
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   364   364   364   364   364 MxSgAt=    28 MxSgA2=    28.
 Leave Link  302 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               7.8 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               3.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "07_transpinane_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               8.3 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636872952 LenY=  5636740015
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -391.673291151949    
 DIIS: error= 2.43D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -391.673291151949     IErMin= 1 ErrMin= 2.43D-03
 ErrMax= 2.43D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.85D-03 BMatP= 6.85D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.43D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.297 Goal=   None    Shift=    0.000
 GapD=    0.297 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.61D-02 MaxDP=2.42D+00              OVMax= 1.06D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.33D-02    CP:  1.42D+00
 E= -391.679047624913     Delta-E=       -0.005756472965 Rises=F Damp=F
 DIIS: error= 3.72D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -391.679047624913     IErMin= 2 ErrMin= 3.72D-04
 ErrMax= 3.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-05 BMatP= 6.85D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.72D-03
 Coeff-Com:  0.158D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.157D-03 0.100D+01
 Gap=     0.288 Goal=   None    Shift=    0.000
 RMSDP=7.02D-04 MaxDP=1.14D-01 DE=-5.76D-03 OVMax= 3.25D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.10D-04    CP:  1.44D+00  1.04D+00
 E= -391.679010094301     Delta-E=        0.000037530613 Rises=F Damp=F
 DIIS: error= 4.76D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -391.679047624913     IErMin= 2 ErrMin= 3.72D-04
 ErrMax= 4.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-04 BMatP= 7.13D-05
 IDIUse=3 WtCom= 3.14D-01 WtEn= 6.86D-01
 Coeff-Com: -0.108D-01 0.574D+00 0.437D+00
 Coeff-En:   0.000D+00 0.587D+00 0.413D+00
 Coeff:     -0.340D-02 0.583D+00 0.420D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.36D-04 MaxDP=8.62D-03 DE= 3.75D-05 OVMax= 1.83D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.45D-05    CP:  1.44D+00  1.04D+00  6.49D-01
 E= -391.679135327771     Delta-E=       -0.000125233470 Rises=F Damp=F
 DIIS: error= 3.51D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -391.679135327771     IErMin= 4 ErrMin= 3.51D-05
 ErrMax= 3.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 7.13D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.438D-02 0.148D+00 0.129D+00 0.727D+00
 Coeff:     -0.438D-02 0.148D+00 0.129D+00 0.727D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.43D-05 MaxDP=1.39D-03 DE=-1.25D-04 OVMax= 2.38D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.00D-05    CP:  1.44D+00  1.04D+00  6.65D-01  7.89D-01
 E= -391.679136076784     Delta-E=       -0.000000749013 Rises=F Damp=F
 DIIS: error= 2.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -391.679136076784     IErMin= 5 ErrMin= 2.05D-05
 ErrMax= 2.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-07 BMatP= 1.20D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.110D-02 0.121D-01 0.158D-01 0.376D+00 0.597D+00
 Coeff:     -0.110D-02 0.121D-01 0.158D-01 0.376D+00 0.597D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=8.68D-06 MaxDP=1.07D-03 DE=-7.49D-07 OVMax= 9.87D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.59D-06    CP:  1.44D+00  1.04D+00  6.61D-01  8.45D-01  8.00D-01
 E= -391.679136461970     Delta-E=       -0.000000385187 Rises=F Damp=F
 DIIS: error= 3.23D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -391.679136461970     IErMin= 6 ErrMin= 3.23D-06
 ErrMax= 3.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-08 BMatP= 4.10D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.243D-03-0.151D-02-0.535D-04 0.109D+00 0.234D+00 0.659D+00
 Coeff:     -0.243D-03-0.151D-02-0.535D-04 0.109D+00 0.234D+00 0.659D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.67D-06 MaxDP=9.88D-05 DE=-3.85D-07 OVMax= 1.57D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.06D-06    CP:  1.44D+00  1.04D+00  6.62D-01  8.53D-01  7.81D-01
                    CP:  8.44D-01
 E= -391.679136471915     Delta-E=       -0.000000009944 Rises=F Damp=F
 DIIS: error= 5.80D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -391.679136471915     IErMin= 7 ErrMin= 5.80D-07
 ErrMax= 5.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-10 BMatP= 1.02D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.339D-04-0.930D-03-0.873D-03 0.187D-01 0.515D-01 0.209D+00
 Coeff-Com:  0.723D+00
 Coeff:     -0.339D-04-0.930D-03-0.873D-03 0.187D-01 0.515D-01 0.209D+00
 Coeff:      0.723D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=2.54D-07 MaxDP=1.39D-05 DE=-9.94D-09 OVMax= 4.41D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.13D-07    CP:  1.44D+00  1.04D+00  6.62D-01  8.53D-01  7.85D-01
                    CP:  8.56D-01  9.08D-01
 E= -391.679136472193     Delta-E=       -0.000000000278 Rises=F Damp=F
 DIIS: error= 2.22D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -391.679136472193     IErMin= 8 ErrMin= 2.22D-07
 ErrMax= 2.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.24D-11 BMatP= 3.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-05-0.357D-03-0.461D-03 0.109D-02 0.873D-02 0.560D-01
 Coeff-Com:  0.376D+00 0.559D+00
 Coeff:      0.119D-05-0.357D-03-0.461D-03 0.109D-02 0.873D-02 0.560D-01
 Coeff:      0.376D+00 0.559D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=8.23D-08 MaxDP=2.40D-06 DE=-2.78D-10 OVMax= 1.54D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.16D-08    CP:  1.44D+00  1.04D+00  6.62D-01  8.53D-01  7.86D-01
                    CP:  8.55D-01  9.01D-01  8.04D-01
 E= -391.679136472234     Delta-E=       -0.000000000041 Rises=F Damp=F
 DIIS: error= 2.94D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -391.679136472234     IErMin= 9 ErrMin= 2.94D-08
 ErrMax= 2.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-12 BMatP= 7.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D-05-0.857D-04-0.117D-03-0.478D-03 0.810D-03 0.101D-01
 Coeff-Com:  0.100D+00 0.197D+00 0.692D+00
 Coeff:      0.201D-05-0.857D-04-0.117D-03-0.478D-03 0.810D-03 0.101D-01
 Coeff:      0.100D+00 0.197D+00 0.692D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=2.13D-08 MaxDP=1.93D-06 DE=-4.08D-11 OVMax= 1.83D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.19D-08    CP:  1.44D+00  1.04D+00  6.62D-01  8.53D-01  7.86D-01
                    CP:  8.55D-01  9.08D-01  7.73D-01  8.03D-01
 E= -391.679136472258     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 5.87D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -391.679136472258     IErMin=10 ErrMin= 5.87D-09
 ErrMax= 5.87D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.29D-14 BMatP= 1.19D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.618D-06-0.164D-04-0.211D-04-0.196D-03-0.270D-04 0.148D-02
 Coeff-Com:  0.205D-01 0.468D-01 0.230D+00 0.701D+00
 Coeff:      0.618D-06-0.164D-04-0.211D-04-0.196D-03-0.270D-04 0.148D-02
 Coeff:      0.205D-01 0.468D-01 0.230D+00 0.701D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.53D-09 MaxDP=1.53D-07 DE=-2.48D-11 OVMax= 4.89D-08

 SCF Done:  E(RB3LYP) =  -391.679136472     A.U. after   10 cycles
            NFock= 10  Conv=0.35D-08     -V/T= 2.0127
 KE= 3.867765038319D+02 PE=-2.093694462651D+03 EE= 7.201197372082D+02
 Leave Link  502 at Fri Jul 16 13:13:24 2021, MaxMem=  5637144576 cpu:            1563.6 elap:             195.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   344
 NBasis=   344 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    344 NOA=    39 NOB=    39 NVA=   305 NVB=   305

 **** Warning!!: The largest alpha MO coefficient is  0.56111496D+02

 Leave Link  801 at Fri Jul 16 13:13:25 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8471 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          28
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.98D-13 8.33D-09 XBig12= 1.00D+00 1.37D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.98D-13 8.33D-09 XBig12= 1.58D-01 4.93D-02.
     11 vectors produced by pass  2 Test12= 1.98D-13 8.33D-09 XBig12= 3.19D-02 1.79D-02.
     11 vectors produced by pass  3 Test12= 1.98D-13 8.33D-09 XBig12= 2.63D-03 7.19D-03.
     11 vectors produced by pass  4 Test12= 1.98D-13 8.33D-09 XBig12= 2.54D-04 2.14D-03.
     11 vectors produced by pass  5 Test12= 1.98D-13 8.33D-09 XBig12= 8.34D-06 4.95D-04.
     11 vectors produced by pass  6 Test12= 1.98D-13 8.33D-09 XBig12= 1.50D-07 4.93D-05.
     11 vectors produced by pass  7 Test12= 1.98D-13 8.33D-09 XBig12= 2.04D-09 5.26D-06.
     11 vectors produced by pass  8 Test12= 1.98D-13 8.33D-09 XBig12= 2.93D-11 6.24D-07.
      8 vectors produced by pass  9 Test12= 1.98D-13 8.33D-09 XBig12= 2.75D-13 6.90D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.126819D+03
      2 -0.341363D-01  0.113063D+03
      3  0.612558D+00 -0.652093D-01  0.108855D+03
 Isotropic polarizability for W=    0.093368      116.25 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.423488D+01 -0.220055D+02  0.112575D+02
      2  -0.702896D+01  0.107558D+02 -0.399695D+01
      3   0.112638D+02  0.112497D+02 -0.726052D+01
      4  -0.301701D+02 -0.100805D+02  0.295034D+01
      5   0.185517D+02  0.200544D+01  0.171096D+02
      6   0.970543D+00  0.444462D+01 -0.387577D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.256013D+01  0.103886D+01  0.266061D+01
      2   0.326873D+01 -0.926736D+00  0.661935D+01
      3   0.405134D+01  0.276135D+01 -0.163461D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.944901D+00  0.844157D+01  0.151254D+02
      2  -0.729423D+01  0.197980D+01  0.584578D+01
      3  -0.816463D+01  0.305151D+01 -0.103490D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.151690D+01 -0.933481D+00 -0.807886D+00
      2  -0.933481D+00  0.957709D+00 -0.123301D+01
      3  -0.807886D+00 -0.123301D+01  0.557973D+00
 OR G Eigenvalues:    -2.3333     0.3132     2.0189  Iso=     0.0004
 Eigenvectors:
   (1)   0.833136   0.385058   0.397007
   (2)  -0.549409   0.493780   0.674041
   (3)  -0.063510   0.779687  -0.622940
 w=    0.093368 a.u., Optical Rotation Beta=      0.0004 au.
 Molar Mass =    138.2522 grams/mole, [Alpha] ( 4880.0 A) =        0.17 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   59340 ScalPx= 2.91D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   59340 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.86D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.30D-14 2.78D-09 XBig12= 1.00D+00 3.27D-01.
     30 vectors produced by pass  1 Test12= 3.30D-14 2.78D-09 XBig12= 5.03D-02 2.42D-02.
     30 vectors produced by pass  2 Test12= 3.30D-14 2.78D-09 XBig12= 1.46D-03 4.63D-03.
     30 vectors produced by pass  3 Test12= 3.30D-14 2.78D-09 XBig12= 2.37D-05 4.43D-04.
     30 vectors produced by pass  4 Test12= 3.30D-14 2.78D-09 XBig12= 1.67D-07 4.95D-05.
     30 vectors produced by pass  5 Test12= 3.30D-14 2.78D-09 XBig12= 1.04D-09 2.30D-06.
     30 vectors produced by pass  6 Test12= 3.30D-14 2.78D-09 XBig12= 2.90D-12 1.31D-07.
      5 vectors produced by pass  7 Test12= 3.30D-14 2.78D-09 XBig12= 6.43D-15 5.40D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   215 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   59340 ScalPx= 3.18D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   59340 ScalPx= 3.18D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   59340 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.126819D+03 -0.341363D-01  0.612558D+00
      2  -0.341363D-01  0.113063D+03 -0.652093D-01
      3   0.612558D+00 -0.652093D-01  0.108855D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.256013D+01  0.103886D+01  0.266061D+01
      2   0.326873D+01 -0.926736D+00  0.661935D+01
      3   0.405134D+01  0.276135D+01 -0.163461D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.423488D+01 -0.220055D+02  0.112575D+02
      2  -0.702896D+01  0.107558D+02 -0.399695D+01
      3   0.112638D+02  0.112497D+02 -0.726052D+01
      4  -0.301701D+02 -0.100805D+02  0.295034D+01
      5   0.185517D+02  0.200544D+01  0.171096D+02
      6   0.970543D+00  0.444462D+01 -0.387577D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.111071D+01 -0.285586D+01  0.106513D+01 -0.339462D+01  0.221302D+00
      2  -0.285586D+01 -0.479231D+00  0.126302D+01  0.221302D+00  0.306010D+01
      3   0.106513D+01  0.126302D+01  0.294601D+01  0.173687D+01 -0.135689D+01
                 6             7             8             9            10 
      1   0.173687D+01  0.599703D+00  0.221276D+01  0.436041D+01 -0.232962D+00
      2  -0.135689D+01  0.221276D+01 -0.212899D+01 -0.225880D+01  0.359612D+01
      3  -0.163446D+01  0.436041D+01 -0.225880D+01 -0.373904D+00  0.149812D+01
                11            12            13            14            15 
      1   0.359612D+01  0.149812D+01  0.461734D+01  0.626956D+00  0.175404D+00
      2   0.147765D+01 -0.212013D+00  0.626956D+00 -0.519845D+01  0.558044D+00
      3  -0.212013D+00 -0.207723D+01  0.175404D+00  0.558044D+00  0.116493D+01
                16            17            18            19            20 
      1   0.246678D+01 -0.757610D-01 -0.236099D+01  0.908149D+00  0.161821D+01
      2  -0.757610D-01  0.151108D+01  0.129494D+01  0.161821D+01  0.689173D+00
      3  -0.236099D+01  0.129494D+01 -0.639189D+01 -0.758141D+00 -0.331321D+01
                21            22            23            24            25 
      1  -0.758141D+00  0.218226D+01  0.623774D+00 -0.323290D+01 -0.562252D+00
      2  -0.331321D+01  0.623774D+00 -0.407669D+01  0.153025D+01 -0.396170D+01
      3  -0.725603D+00 -0.323290D+01  0.153025D+01 -0.256555D+01 -0.782168D+00
                26            27            28            29            30 
      1  -0.396170D+01 -0.782168D+00 -0.289060D+01 -0.242824D+01  0.826745D+00
      2   0.205753D+01 -0.415098D+01 -0.242824D+01 -0.215050D+01  0.474341D+01
      3  -0.415098D+01 -0.419988D+00  0.826745D+00  0.474341D+01 -0.147427D+01
                31            32            33            34            35 
      1  -0.263144D+01 -0.189226D+01  0.487000D+01  0.836957D+00  0.547309D+01
      2  -0.189226D+01  0.158933D+01  0.647193D+00  0.547309D+01 -0.823599D+00
      3   0.487000D+01  0.647193D+00  0.286989D+01 -0.176561D+01  0.227720D+01
                36            37            38            39            40 
      1  -0.176561D+01  0.518425D+01  0.507186D+01  0.328921D+01  0.603384D+01
      2   0.227720D+01  0.507186D+01  0.167736D+01 -0.170943D+01  0.265589D+01
      3  -0.896626D+00  0.328921D+01 -0.170943D+01  0.750595D+00 -0.245578D+01
                41            42            43            44            45 
      1   0.265589D+01 -0.245578D+01  0.471818D+01 -0.212653D+01  0.184839D+00
      2  -0.326457D+01  0.308898D+01 -0.212653D+01  0.460089D+01 -0.280373D+01
      3   0.308898D+01 -0.259868D+01  0.184839D+00 -0.280373D+01 -0.214568D+01
                46            47            48            49            50 
      1  -0.430590D+01 -0.344225D+01 -0.287425D+01 -0.416706D+01 -0.136028D+00
      2  -0.344225D+01 -0.463917D+00 -0.192917D+00 -0.136028D+00  0.872523D+01
      3  -0.287425D+01 -0.192917D+00 -0.145786D+01 -0.143371D+00 -0.855944D+00
                51            52            53            54            55 
      1  -0.143371D+00 -0.588094D+01 -0.571994D+00 -0.160016D+00  0.174833D+01
      2  -0.855944D+00 -0.571994D+00 -0.715364D+00 -0.194374D+01 -0.271480D+00
      3  -0.277624D+01 -0.160016D+00 -0.194374D+01  0.385242D+01  0.361773D+01
                56            57            58            59            60 
      1  -0.271480D+00  0.361773D+01 -0.532431D+00 -0.191008D+01 -0.337693D+01
      2  -0.178001D+01 -0.351409D+01 -0.191008D+01 -0.148885D+01 -0.167555D+01
      3  -0.351409D+01  0.768303D+00 -0.337693D+01 -0.167555D+01  0.260093D+01
                61            62            63            64            65 
      1   0.295343D+01 -0.258652D+01  0.655293D+00 -0.298814D+01  0.179072D+01
      2  -0.258652D+01 -0.134759D+01  0.212792D+01  0.179072D+01 -0.131498D+01
      3   0.655293D+00  0.212792D+01 -0.270939D+00  0.179147D+01 -0.108614D+01
                66            67            68            69            70 
      1   0.179147D+01  0.179199D+01 -0.169341D+01 -0.124060D+01  0.304477D+01
      2  -0.108614D+01 -0.169341D+01  0.233806D+01  0.194324D+01 -0.183560D+01
      3  -0.186260D+01 -0.124060D+01  0.194324D+01  0.169446D+01 -0.312627D+01
                71            72            73            74            75 
      1  -0.183560D+01 -0.312627D+01  0.217190D+01 -0.388202D+01 -0.289337D+01
      2   0.268896D+01  0.246067D+01 -0.388202D+01 -0.186942D+01  0.636924D+00
      3   0.246067D+01  0.422235D+01 -0.289337D+01  0.636924D+00  0.238966D+01
                76            77            78            79            80 
      1  -0.555828D+01 -0.329414D+00  0.545960D+00 -0.377508D+01  0.279547D+00
      2  -0.329414D+00  0.668688D+01 -0.208442D+01  0.279547D+00 -0.230948D+01
      3   0.545960D+00 -0.208442D+01 -0.573200D+00  0.317922D+01 -0.267304D-02
                81            82            83            84            85 
      1   0.317922D+01  0.706378D+00 -0.551569D+00  0.103330D+01 -0.833024D+00
      2  -0.267304D-02 -0.551569D+00 -0.120632D+00 -0.486626D-02 -0.186180D+00
      3   0.487195D+01  0.103330D+01 -0.486626D-02  0.643524D+00  0.113500D+00
                86            87            88            89            90 
      1  -0.186180D+00  0.113500D+00  0.212269D+01  0.312438D+00  0.420748D+00
      2  -0.339062D+00  0.114962D+01  0.312438D+00  0.120812D+01 -0.124904D+01
      3   0.114962D+01 -0.114551D+01  0.420748D+00 -0.124904D+01  0.800608D+01
                91            92            93            94            95 
      1   0.588984D+01  0.311097D+01 -0.254819D+01  0.249566D+01  0.230379D+01
      2   0.311097D+01  0.295074D+01 -0.200027D+01  0.230379D+01  0.360941D+01
      3  -0.254819D+01 -0.200027D+01  0.226387D+01 -0.169808D+01 -0.167087D+01
                96            97            98            99           100 
      1  -0.169808D+01 -0.199678D+01 -0.169357D+01  0.226454D+01 -0.190317D+01
      2  -0.167087D+01 -0.169357D+01 -0.146822D+01  0.163736D+01 -0.481266D+01
      3   0.127062D+01  0.226454D+01  0.163736D+01 -0.253931D+01 -0.334616D+01
               101           102           103           104           105 
      1  -0.481266D+01 -0.334616D+01 -0.529049D+01 -0.187776D+01  0.124135D+01
      2  -0.114145D+01  0.935616D+00 -0.187776D+01  0.117952D+01 -0.418821D+01
      3   0.935616D+00  0.558175D+00  0.124135D+01 -0.418821D+01  0.292495D+01
               106           107           108           109           110 
      1  -0.294414D+01  0.146116D+01  0.471284D+00 -0.261566D+01 -0.459694D+01
      2   0.146116D+01 -0.335006D+01  0.264367D+01 -0.459694D+01 -0.895628D+00
      3   0.471284D+00  0.264367D+01  0.131670D+01 -0.213420D+01  0.129606D+01
               111           112           113           114           115 
      1  -0.213420D+01 -0.576214D+01 -0.270663D+01  0.167424D+01 -0.243764D+01
      2   0.129606D+01 -0.270663D+01  0.344705D+01 -0.268017D+01  0.148821D+01
      3   0.384049D+00  0.167424D+01 -0.268017D+01  0.280162D+01 -0.554835D+00
               116           117           118           119           120 
      1   0.148821D+01 -0.554835D+00  0.115626D+00 -0.109184D+01  0.500268D+00
      2  -0.321204D+01  0.341551D+01 -0.109184D+01  0.505050D+00 -0.107466D+00
      3   0.341551D+01  0.439890D+01  0.500268D+00 -0.107466D+00  0.120456D+00
               121           122           123           124           125 
      1  -0.160192D+01 -0.338168D+00  0.138833D+00  0.835575D+00  0.115970D+00
      2  -0.338168D+00 -0.108792D+02  0.111148D+00  0.115970D+00  0.304112D+00
      3   0.138833D+00  0.111148D+00 -0.813584D+00 -0.114647D+00 -0.115181D+01
               126           127           128           129           130 
      1  -0.114647D+00  0.221526D+01 -0.104956D+01 -0.203303D+01 -0.116801D+01
      2  -0.115181D+01 -0.104956D+01  0.129577D+01  0.127404D+01  0.109914D+01
      3  -0.867570D-01 -0.203303D+01  0.127404D+01  0.284315D+01  0.118417D+01
               131           132           133           134           135 
      1   0.109914D+01  0.118417D+01 -0.173872D+01  0.947540D+00  0.210741D+01
      2  -0.179754D+01 -0.174998D+01  0.947540D+00 -0.153626D+01 -0.230063D+01
      3  -0.174998D+01 -0.286234D+01  0.210741D+01 -0.230063D+01 -0.591735D+01
               136           137           138           139           140 
      1  -0.492488D+01  0.391687D+00 -0.317312D+01  0.914514D+00 -0.727567D+00
      2   0.391687D+00 -0.808958D+00  0.647706D+00 -0.727567D+00  0.701777D+00
      3  -0.317312D+01  0.647706D+00 -0.379537D+01  0.101699D+01 -0.734188D+00
               141           142           143           144           145 
      1   0.101699D+01 -0.220130D+01  0.480449D+00 -0.241185D+01 -0.361863D+01
      2  -0.734188D+00  0.480449D+00 -0.439318D+00  0.148686D+00  0.176672D+01
      3   0.912611D+00 -0.241185D+01  0.148686D+00 -0.404916D+01  0.120758D+01
               146           147           148           149           150 
      1   0.176672D+01  0.120758D+01  0.201873D+01 -0.105212D+01 -0.669404D+00
      2  -0.139235D+01 -0.976336D+00 -0.105212D+01  0.169423D+01  0.146224D+01
      3  -0.976336D+00 -0.257587D+01 -0.669404D+00  0.146224D+01  0.145998D+01
               151           152           153           154           155 
      1   0.131398D+01 -0.736930D+00 -0.136373D+01  0.649297D+01  0.300565D+01
      2  -0.736930D+00  0.122897D+01  0.932861D+00  0.300565D+01  0.226141D+01
      3  -0.136373D+01  0.932861D+00  0.220380D+01  0.271427D+01  0.107077D+01
               156           157           158           159           160 
      1   0.271427D+01  0.360581D+01  0.251407D+01  0.128671D+01  0.860648D+00
      2   0.107077D+01  0.251407D+01  0.250168D+01  0.165525D+01  0.330941D+00
      3   0.233307D+01  0.128671D+01  0.165525D+01  0.121587D+01  0.120552D+01
               161           162           163           164           165 
      1   0.330941D+00  0.120552D+01  0.104410D+01 -0.383765D+00  0.138116D+01
      2   0.611876D+00  0.546677D+00 -0.383765D+00  0.614691D+00 -0.442417D+00
      3   0.546677D+00  0.888555D+00  0.138116D+01 -0.442417D+00  0.797648D+00
               166           167           168           169           170 
      1  -0.112395D+01  0.131447D+01 -0.139046D+01  0.114396D+01 -0.730486D+00
      2   0.131447D+01 -0.405609D+01  0.330573D+01 -0.730486D+00  0.212877D+01
      3  -0.139046D+01  0.330573D+01 -0.461026D+01  0.116256D+01 -0.261995D+01
               171           172           173           174           175 
      1   0.116256D+01  0.123228D+00  0.239023D+00 -0.880560D+00  0.921699D-01
      2  -0.261995D+01  0.239023D+00  0.306877D-01  0.117060D+00  0.759879D+00
      3   0.458967D+01 -0.880560D+00  0.117060D+00  0.292199D+00  0.301421D+00
               176           177           178           179           180 
      1   0.759879D+00  0.301421D+00 -0.218454D+01  0.823971D+00  0.133658D+01
      2  -0.161121D+01 -0.114605D+01  0.823971D+00 -0.152475D+01 -0.225467D+01
      3  -0.114605D+01 -0.185372D+01  0.133658D+01 -0.225467D+01 -0.644730D+01
               181           182           183           184           185 
      1   0.158291D+01 -0.907999D+00  0.790193D+00 -0.209903D+01  0.308373D+01
      2  -0.907999D+00  0.888598D+00 -0.488175D+00  0.308373D+01 -0.657464D+01
      3   0.790193D+00 -0.488175D+00  0.234841D+00 -0.972217D+00  0.227339D+01
               186           187           188           189           190 
      1  -0.972217D+00  0.221852D+01 -0.164140D+01  0.112193D+01  0.916626D+01
      2   0.227339D+01 -0.164140D+01  0.319923D+01 -0.216679D+01  0.202934D+01
      3  -0.195581D+01  0.112193D+01 -0.216679D+01  0.169216D+01  0.306289D+00
               191           192           193           194           195 
      1   0.202934D+01  0.306289D+00  0.531292D+01  0.208987D+01 -0.111793D+00
      2   0.151387D+01  0.153097D-01  0.208987D+01  0.146936D+01  0.353597D+00
      3   0.153097D-01  0.802337D+00 -0.111793D+00  0.353597D+00  0.536319D+00
               196           197           198           199           200 
      1   0.102184D+01 -0.106701D+00  0.120393D+01 -0.453759D+01  0.105162D+01
      2  -0.106701D+00  0.536225D+00  0.369649D-01  0.105162D+01 -0.124426D+01
      3   0.120393D+01  0.369649D-01 -0.925539D-01 -0.213484D+01  0.401120D+00
               201           202           203           204           205 
      1  -0.213484D+01  0.691932D+00 -0.855444D+00  0.128471D+00 -0.342931D+01
      2   0.401120D+00 -0.855444D+00  0.157728D+00 -0.465424D+00  0.264517D+00
      3  -0.175821D+01  0.128471D+00 -0.465424D+00  0.379398D+00 -0.220289D+01
               206           207           208           209           210 
      1   0.264517D+00 -0.220289D+01 -0.127382D+01  0.136538D+01 -0.716544D+00
      2  -0.133169D+01  0.932393D+00  0.136538D+01 -0.175913D+01  0.105375D+01
      3   0.932393D+00 -0.252201D+01 -0.716544D+00  0.105375D+01 -0.422955D+00
               211           212           213           214           215 
      1   0.102452D+01 -0.139996D+01  0.771801D+00 -0.118601D+01  0.135462D+01
      2  -0.139996D+01  0.780521D+01 -0.314889D+01  0.135462D+01 -0.494746D+01
      3   0.771801D+00 -0.314889D+01  0.219159D+01 -0.552725D+00  0.352363D+01
               216           217           218           219           220 
      1  -0.552725D+00  0.172099D+01  0.929679D+00  0.120053D+01  0.755633D+00
      2   0.352363D+01  0.929679D+00  0.193541D+01  0.120656D+01  0.110788D+01
      3  -0.304185D+01  0.120053D+01  0.120656D+01  0.125322D+01  0.815038D+00
               221           222           223           224           225 
      1   0.110788D+01  0.815038D+00  0.162396D+01  0.112557D+01  0.125241D+01
      2   0.432249D+01  0.190378D+01  0.112557D+01  0.322953D+01  0.275730D+01
      3   0.190378D+01  0.182155D+01  0.125241D+01  0.275730D+01  0.342092D+01
               226           227           228           229           230 
      1  -0.144659D+01  0.199782D+00 -0.101000D+01  0.849767D+00 -0.275348D+00
      2   0.199782D+00 -0.565610D-02 -0.233869D+00 -0.275348D+00 -0.673628D+00
      3  -0.101000D+01 -0.233869D+00 -0.133144D+01 -0.126262D+00 -0.624702D+00
               231           232           233           234           235 
      1  -0.126262D+00 -0.279782D+01 -0.969982D+00 -0.227571D+01 -0.928740D+01
      2  -0.624702D+00 -0.969982D+00 -0.139073D+01 -0.648027D+00  0.639842D+00
      3   0.382392D-01 -0.227571D+01 -0.648027D+00 -0.625226D+01  0.284911D+01
               236           237           238           239           240 
      1   0.639842D+00  0.284911D+01  0.342418D+01 -0.101944D+01 -0.861176D+00
      2  -0.994825D+00 -0.296527D+00 -0.101944D+01  0.320615D+00  0.727231D+00
      3  -0.296527D+00 -0.184279D+01 -0.861176D+00  0.727231D+00  0.790405D+00
               241           242           243           244           245 
      1   0.426397D+01 -0.694627D-01 -0.258427D+01 -0.155567D+00 -0.532402D+00
      2  -0.694627D-01  0.110075D+01  0.223849D+00 -0.532402D+00  0.580515D+00
      3  -0.258427D+01  0.223849D+00  0.148449D+01  0.431299D+00 -0.836075D-01
               246           247           248           249           250 
      1   0.431299D+00 -0.164885D+01 -0.200094D+01  0.278213D+00  0.110957D+01
      2  -0.836075D-01 -0.200094D+01 -0.964874D+01  0.167160D+01  0.435839D+00
      3  -0.569046D-01  0.278213D+00  0.167160D+01 -0.128401D+01 -0.670954D+00
               251           252 
      1   0.435839D+00 -0.670954D+00
      2   0.211955D+01 -0.140878D+01
      3  -0.140878D+01  0.499569D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.462875D+01 -0.350776D+01 -0.344967D+01 -0.388255D+01  0.666655D+01
      2  -0.320097D+01 -0.228270D+01 -0.636899D+01 -0.283481D+01  0.314106D+01
      3  -0.809643D+01 -0.997426D+01  0.608697D+01 -0.325440D+01  0.679671D+01
                 6             7             8             9            10 
      1   0.767940D+00 -0.463726D+01  0.578840D+01 -0.308450D+00  0.425399D+01
      2   0.407779D+01 -0.150115D+02  0.523430D+01  0.617938D-01 -0.354926D+01
      3  -0.105210D+00  0.758539D+01 -0.493285D+00  0.533212D+00  0.822891D+01
                11            12            13            14            15 
      1   0.240841D+01 -0.143554D+01  0.197394D+01 -0.387877D+01 -0.102923D+01
      2  -0.117169D+01  0.483863D+01 -0.173134D+01 -0.240712D+01 -0.198042D+01
      3  -0.442912D+01 -0.237329D+01  0.301632D+01 -0.114038D+02  0.137500D+01
                16            17            18            19            20 
      1  -0.571614D+00  0.624212D+01 -0.479709D+01  0.213284D+01  0.103313D+02
      2   0.734708D+00 -0.221491D+01  0.149767D+02 -0.205599D+01  0.134747D+01
      3  -0.266021D+01  0.294556D+01  0.198140D+01  0.330529D+01  0.418734D+01
                21            22            23            24            25 
      1   0.281989D+01  0.101331D+02 -0.324150D+01  0.567459D+01  0.423315D+01
      2   0.216846D+01  0.157963D+01  0.539430D-01 -0.429884D+00 -0.217822D+01
      3  -0.255178D+01  0.108969D+02  0.339253D+00 -0.829071D+01 -0.295478D+01
                26            27            28            29            30 
      1   0.142858D+02  0.379875D+01  0.905904D+00 -0.749685D+01 -0.521732D+01
      2  -0.146855D+01  0.156422D+01 -0.333267D+00  0.393649D+01  0.160396D+01
      3  -0.928975D+01 -0.258717D+01  0.198238D+01 -0.543968D+01 -0.201219D+01
                31            32            33            34            35 
      1  -0.702497D+01 -0.281660D+01 -0.788242D+01 -0.368909D+01 -0.707289D+00
      2   0.381005D+01  0.163214D+00  0.860930D+01 -0.527465D+01  0.102029D+02
      3   0.103760D+01 -0.398042D+01  0.602969D+01 -0.438687D+01  0.779225D+01
                36            37            38            39            40 
      1  -0.305054D+01  0.461523D+01  0.439459D+00 -0.452377D-01  0.205901D+01
      2  -0.200185D+01  0.522037D+01 -0.447926D+01  0.409916D+01 -0.642961D+01
      3  -0.383526D+01 -0.125429D+02 -0.109630D+02  0.174299D+01 -0.276203D+01
                41            42            43            44            45 
      1   0.866093D+00 -0.428319D+01 -0.933354D+00  0.494893D+01 -0.366141D+01
      2   0.682451D+01 -0.661225D+01 -0.703874D+01 -0.680528D+01 -0.627044D+01
      3   0.402869D+01 -0.528395D+01  0.118886D+01 -0.889975D+01  0.685403D+01
                46            47            48            49            50 
      1  -0.582691D+01 -0.767895D+00 -0.112675D+01  0.170055D+00 -0.705907D-02
      2  -0.210586D+01 -0.118417D+01  0.743251D+00 -0.244633D+00  0.415434D+00
      3   0.516489D+01  0.255305D+01  0.315816D+01  0.108291D+02  0.342378D+01
                51            52            53            54            55 
      1  -0.757501D+01 -0.277425D+01 -0.166982D+01  0.927488D+01  0.268422D+01
      2   0.217441D+01 -0.591478D+01 -0.350378D+00 -0.256226D+01  0.540252D+01
      3   0.520644D+00  0.671705D+01  0.472939D+00 -0.659943D+00 -0.555110D+00
                56            57            58            59            60 
      1   0.576651D+01  0.101019D+02  0.249587D+01  0.270660D+01  0.489198D+01
      2  -0.226571D+01  0.138394D+02 -0.234791D+01 -0.714977D+01 -0.106878D+02
      3  -0.159744D+01 -0.240975D+01  0.274878D+01  0.130222D+01  0.175464D+01
                61            62            63            64            65 
      1   0.878072D+01  0.805336D+01 -0.749999D+01 -0.178495D+01  0.407319D+00
      2   0.576211D+01 -0.751150D+01  0.806078D+00 -0.201772D+01  0.163424D+01
      3  -0.131773D+01  0.147503D+01  0.817199D-01 -0.114081D+01 -0.181294D+01
                66            67            68            69            70 
      1   0.287535D+01  0.140958D+01 -0.116816D+01 -0.298767D+01  0.382690D+01
      2   0.468116D+01  0.129027D+01 -0.354679D+01 -0.378652D+01  0.299868D+01
      3   0.229473D+00  0.166442D+01  0.252042D+01  0.145367D+01  0.176695D+01
                71            72            73            74            75 
      1   0.158864D+00 -0.600512D+01 -0.585956D+01 -0.509234D+00  0.363378D+01
      2  -0.415955D+01 -0.829258D+01  0.101671D+02 -0.185211D+00 -0.525135D+01
      3   0.426783D+01  0.199404D+00 -0.172592D+02 -0.162844D+01  0.629376D+01
                76            77            78            79            80 
      1  -0.427289D-01 -0.277049D+01 -0.242672D+01  0.544406D+01  0.178565D+01
      2  -0.265303D+00  0.685420D+01  0.135154D+01 -0.130361D+02 -0.139277D+01
      3   0.103832D+02  0.237164D+02 -0.815687D+01  0.635486D+01 -0.765583D+01
                81            82            83            84            85 
      1   0.746854D+01  0.551511D+00 -0.220565D+00  0.691124D+00 -0.109269D+00
      2  -0.171938D+02 -0.370534D+01  0.441455D-01 -0.165965D+01  0.329458D+00
      3  -0.448808D+01 -0.204459D+01 -0.250796D+00 -0.455058D+00  0.240361D+01
                86            87            88            89            90 
      1   0.545346D+00 -0.611235D+00  0.105813D+01  0.293317D+01  0.466269D+01
      2  -0.171749D+01  0.150537D+01 -0.695331D+01  0.132076D+01 -0.146569D+02
      3   0.510924D+00  0.202059D+01 -0.144659D+01  0.207606D+01 -0.143397D+01
                91            92            93            94            95 
      1  -0.382726D+00 -0.166036D+01 -0.188538D+01 -0.529894D+00 -0.274026D+01
      2   0.425158D+01  0.855030D+00  0.237193D+01  0.174798D+01  0.701676D+00
      3   0.551038D+01 -0.239510D+01 -0.787609D+00  0.315023D+01 -0.177561D+01
                96            97            98            99           100 
      1  -0.159514D+01 -0.105367D+01  0.168290D+01  0.250883D+01 -0.101764D+02
      2   0.833786D+00 -0.158786D+01 -0.388586D+00 -0.145732D+01 -0.243940D+01
      3  -0.360239D+00 -0.186177D+01  0.185441D+00  0.119798D+01  0.902174D+01
               101           102           103           104           105 
      1  -0.180251D+01  0.184095D+01 -0.532311D+01  0.239405D+01 -0.133641D+02
      2   0.121671D+02  0.122124D+02  0.142423D+02 -0.453039D+01  0.305357D+01
      3  -0.534211D+00 -0.266735D+01  0.480584D+01 -0.235157D+01  0.844167D+01
               106           107           108           109           110 
      1   0.377452D+01 -0.629104D+01  0.615894D+01 -0.738368D+00  0.170579D+01
      2   0.595215D+01  0.177783D+01  0.896234D+00 -0.667764D+01  0.257951D+01
      3  -0.358221D+01  0.661570D+01 -0.483944D+01  0.186847D+02  0.815386D+01
               111           112           113           114           115 
      1  -0.238670D+00  0.258839D+01 -0.440130D+01  0.303436D+01 -0.238467D+01
      2   0.184108D+01  0.239733D+01 -0.881522D+01  0.106077D+02 -0.646135D+01
      3  -0.190347D+01  0.177625D+02 -0.922898D+01  0.636496D+01 -0.176293D+01
               116           117           118           119           120 
      1   0.781172D+01  0.575191D+01  0.121106D+01 -0.947507D-01 -0.643381D-01
      2   0.126122D+02  0.161414D+02 -0.412163D+00 -0.191203D+00  0.961983D+00
      3   0.715097D+01 -0.106048D+02 -0.162902D+00 -0.183422D+00 -0.556794D+00
               121           122           123           124           125 
      1   0.402745D+00  0.258235D+01 -0.543962D+01  0.172198D+00 -0.528287D+00
      2  -0.614643D-01 -0.676736D+00  0.323371D+00 -0.144931D+01  0.198672D+00
      3   0.736889D+01 -0.131729D+01 -0.179061D+00 -0.148684D+01 -0.276882D+00
               126           127           128           129           130 
      1  -0.424406D-01  0.229037D+01 -0.419356D+01 -0.185203D+01 -0.276992D+01
      2   0.989300D-03  0.759427D+01 -0.285420D+01 -0.293667D+01 -0.404518D+01
      3  -0.163544D-01 -0.160663D+01 -0.548945D+00  0.753612D+00  0.241776D+01
               131           132           133           134           135 
      1   0.420254D+01  0.930796D+00 -0.190606D+01  0.427084D+01  0.278704D+01
      2   0.267508D+01  0.242665D+01 -0.639278D+01  0.242342D+01  0.280742D+01
      3  -0.191503D+00 -0.170821D+00  0.134702D+01  0.516098D+00 -0.612562D+00
               136           137           138           139           140 
      1  -0.180549D+01  0.427187D+01 -0.251998D+01  0.207361D+01 -0.247424D+01
      2  -0.152088D+02  0.106420D+01 -0.449742D+01  0.291322D+01 -0.169700D+01
      3   0.122474D+01 -0.272351D+01  0.119835D+01  0.542851D+00  0.611319D+00
               141           142           143           144           145 
      1   0.137597D+00 -0.167627D+01  0.269218D+01 -0.970881D+00  0.421883D+01
      2   0.209999D+01 -0.687098D+01  0.944412D+00 -0.420894D+01  0.143236D+02
      3  -0.326654D+00  0.300528D+00 -0.172861D+01  0.913447D+00 -0.555377D+01
               146           147           148           149           150 
      1  -0.482802D+01 -0.522183D+00 -0.368929D+01  0.481425D+01  0.826716D+00
      2  -0.605389D+01 -0.478672D+01 -0.704220D+01  0.521551D+01  0.306456D+01
      3   0.170981D+01  0.163960D+01  0.423526D+01 -0.272677D+01 -0.220207D+01
               151           152           153           154           155 
      1  -0.133787D+01  0.334854D+01  0.100003D+01  0.621276D+01  0.550424D+01
      2  -0.717141D+01  0.333873D+01  0.522200D+01 -0.878615D+01 -0.412211D+01
      3   0.219082D+01 -0.127621D+01 -0.180583D+01 -0.265532D+01 -0.554650D+01
               156           157           158           159           160 
      1   0.710196D+00  0.482573D+01  0.533181D+01  0.134929D+01  0.648807D+00
      2   0.162355D+01 -0.612012D+01 -0.194861D+01  0.781926D+00 -0.160492D+01
      3  -0.165506D+01 -0.147726D+01 -0.488704D+01 -0.246281D+01 -0.787719D-01
               161           162           163           164           165 
      1   0.218971D+01  0.889001D+00 -0.696539D+00  0.174369D+01 -0.831172D+00
      2  -0.358975D+00 -0.815282D+00  0.685680D+00 -0.176360D+00 -0.641684D-01
      3  -0.109932D+01 -0.504047D+00  0.583604D+00 -0.183201D+01  0.960717D+00
               166           167           168           169           170 
      1   0.284813D+01 -0.106399D+02  0.491940D+01 -0.199234D+01  0.754047D+01
      2   0.134820D+01  0.343553D+01 -0.625509D+01 -0.251619D+01 -0.272538D+01
      3  -0.119891D+00  0.719781D+01 -0.562135D+01  0.551234D+00 -0.421081D+01
               171           172           173           174           175 
      1  -0.566574D+01 -0.171588D+01  0.131500D+00 -0.254313D+00 -0.406828D-01
      2   0.563478D+01 -0.334573D+01  0.888327D+00  0.229663D-01  0.531006D+00
      3   0.460040D+01 -0.115479D+00 -0.100224D+01  0.783355D+00 -0.805423D+00
               176           177           178           179           180 
      1   0.103970D+00 -0.298434D+01  0.126327D+00  0.425498D+00 -0.832905D+01
      2  -0.275739D+01 -0.571133D+01 -0.187576D+01 -0.585930D+01 -0.206440D+02
      3   0.343741D+01  0.286175D+01  0.142286D+01  0.407677D+01  0.585728D+01
               181           182           183           184           185 
      1   0.118845D+01 -0.874423D+00  0.817956D+00 -0.176272D+01  0.366632D+01
      2   0.250576D+01 -0.177721D+01  0.204910D+01 -0.243549D+01  0.760046D+01
      3   0.116208D+01 -0.340974D+01  0.627527D+00 -0.403761D+01  0.166838D+02
               186           187           188           189           190 
      1  -0.585813D+01  0.123172D+01 -0.198795D+01  0.376435D+01 -0.370299D+00
      2  -0.720169D+01  0.180848D+01 -0.621504D+01  0.533358D+01  0.292956D+01
      3  -0.576200D+01  0.888000D+00 -0.830998D+01  0.528632D+01 -0.156985D+02
               191           192           193           194           195 
      1  -0.394246D+00  0.245824D+00 -0.540671D+00 -0.132512D+00 -0.100798D+01
      2   0.102838D+01  0.552255D+01  0.101049D+01  0.175130D+01  0.282644D+01
      3  -0.995909D+01 -0.505496D+00 -0.950202D+01 -0.804530D+01 -0.113263D+01
               196           197           198           199           200 
      1   0.943264D+00  0.418691D+00 -0.250019D+00  0.355755D+01  0.370239D+00
      2   0.220459D+01 -0.390029D-01  0.451706D-01  0.493365D+01 -0.960250D+00
      3  -0.441119D+00 -0.189178D+01 -0.106244D+01 -0.449050D+01 -0.348251D+01
               201           202           203           204           205 
      1   0.301409D+01 -0.799374D-01  0.425134D+00 -0.162788D+01  0.289095D+01
      2   0.656155D+01 -0.144615D+00  0.123760D+01 -0.926777D+00  0.395335D+01
      3  -0.240522D+01  0.514041D+00 -0.172560D+01 -0.648763D+00 -0.490995D+01
               206           207           208           209           210 
      1  -0.923069D-01  0.468926D+01  0.113896D+01 -0.252985D+01  0.142116D+01
      2  -0.192539D+01  0.756773D+01 -0.776711D+00  0.310543D+00  0.110782D+01
      3  -0.375669D+01 -0.133009D+01 -0.338404D+01  0.101753D+01 -0.138240D+01
               211           212           213           214           215 
      1  -0.158442D+01  0.476157D+01 -0.717940D+01  0.250529D+00 -0.498878D+01
      2   0.980598D+00  0.173509D+00 -0.898561D+00 -0.190920D+01 -0.112787D+00
      3   0.448006D+01 -0.778296D+00  0.933721D+00 -0.413606D+01  0.135471D+01
               216           217           218           219           220 
      1   0.750574D+01 -0.363176D+01 -0.293173D+01 -0.458990D+01 -0.221306D+01
      2   0.706797D+00  0.921407D-01 -0.342666D+00  0.697311D+00 -0.817489D+00
      3   0.371150D-01  0.551812D+01  0.486463D+00  0.350550D+01  0.341975D+01
               221           222           223           224           225 
      1  -0.495468D+01 -0.633037D+01 -0.420012D+01 -0.537994D+01 -0.117757D+02
      2  -0.759460D+00  0.303229D+00 -0.216949D+01 -0.233055D+00 -0.973007D+00
      3   0.269548D+01  0.263332D+01  0.636689D+01  0.304816D+01  0.355343D+01
               226           227           228           229           230 
      1  -0.173849D+01  0.423417D-01 -0.204281D+01 -0.377712D+00 -0.916488D+00
      2   0.342703D+01  0.969266D+00  0.471411D+01  0.858430D+00  0.188695D+01
      3   0.224437D+01 -0.103028D+01  0.683425D+00 -0.465834D+00 -0.111904D+01
               231           232           233           234           235 
      1  -0.783601D+00 -0.263923D+01  0.198207D+01 -0.100737D+02  0.391691D+01
      2  -0.562273D+00  0.340541D+01  0.123321D+01  0.218533D+02 -0.513100D+01
      3  -0.142566D+01  0.110923D+01 -0.388635D+01  0.152000D+01  0.148682D+02
               236           237           238           239           240 
      1  -0.146559D+01 -0.232070D+01 -0.118442D+01  0.139279D+01  0.546035D+00
      2   0.956450D+00  0.770276D+01  0.120747D+01 -0.191275D+01 -0.299052D+01
      3  -0.695591D+01 -0.511782D+01 -0.600625D+01  0.308107D+01  0.331183D+01
               241           242           243           244           245 
      1  -0.288340D+01  0.208385D+01  0.155623D+01  0.477543D+00  0.154716D+00
      2   0.482398D+01 -0.892003D+00 -0.404654D+01 -0.148179D+01  0.234927D+00
      3  -0.588312D+01  0.476325D+01  0.401046D+01 -0.217941D+01  0.106308D+01
               246           247           248           249           250 
      1   0.223770D+00 -0.130196D+00 -0.286821D+00 -0.453842D+01 -0.716011D+00
      2   0.627586D+00  0.273712D+00 -0.421127D+01  0.400349D+01  0.360109D+00
      3  -0.850216D+00  0.166483D+00 -0.268308D+02  0.473289D+01 -0.880750D+00
               251           252 
      1  -0.469324D+00  0.584045D+00
      2   0.338267D+01 -0.800867D+00
      3   0.603445D+01 -0.284620D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.390087D+01  0.879087D+01 -0.109868D+02  0.721122D+01 -0.178216D+01
      2   0.277350D+01 -0.604527D+01  0.615278D+01 -0.489254D+01  0.444804D+01
      3   0.112737D+01 -0.274561D+01  0.483400D+01 -0.231868D+01 -0.266589D+01
      4   0.143362D+02 -0.458170D+01 -0.692420D-01 -0.802207D+01 -0.928986D+01
      5  -0.285183D+01 -0.500527D+01 -0.142993D+02 -0.677490D+01  0.517133D+01
      6  -0.267227D-01  0.683743D+01  0.848421D+01  0.727706D+01 -0.632741D+01
                 6             7             8             9            10 
      1   0.970223D-01 -0.144842D+02 -0.157322D+01 -0.126906D+02 -0.201947D+01
      2  -0.141028D+01  0.980141D+01  0.196039D+01  0.654005D+01 -0.126582D+01
      3   0.131326D+01  0.468282D+01 -0.387170D+00  0.615053D+01  0.328529D+01
      4   0.791764D+01 -0.142668D+01  0.113990D+02  0.189526D+02 -0.195452D+02
      5   0.793622D+01 -0.213815D+02  0.129471D+02  0.367735D+01 -0.433959D+01
      6  -0.612140D+01  0.137189D+02 -0.765799D+01 -0.704433D+01 -0.682906D+00
                11            12            13            14            15 
      1  -0.114121D+02 -0.302405D+01 -0.152412D+02 -0.748362D+01 -0.225357D+01
      2   0.177512D+01  0.148160D+01  0.578966D+01  0.820041D+01  0.587682D+00
      3   0.963698D+01  0.154245D+01  0.945149D+01 -0.716789D+00  0.166589D+01
      4  -0.113166D+02 -0.227976D+01 -0.107145D+02  0.120751D+02 -0.401992D+00
      5   0.207233D+01  0.506972D+01  0.154388D+01 -0.108937D+01 -0.312587D+01
      6  -0.227774D+01  0.798560D+00 -0.102034D+01 -0.576646D+00 -0.180263D+01
                16            17            18            19            20 
      1  -0.220972D+01 -0.409656D+01  0.197771D+02 -0.456531D+01 -0.480293D+01
      2   0.119467D+01 -0.229934D+01  0.250926D+01  0.413984D+01  0.413239D+00
      3   0.101505D+01  0.639590D+01 -0.222864D+02  0.425470D+00  0.438969D+01
      4  -0.436726D+01 -0.470013D+01 -0.136996D+01  0.442652D+00 -0.377313D+01
      5   0.117560D+02 -0.257398D+01  0.143894D+02 -0.313773D+01  0.937470D+00
      6   0.161178D+01  0.792750D+00  0.121128D+02 -0.285382D+01 -0.145661D+02
                21            22            23            24            25 
      1   0.108589D+02 -0.674602D+01  0.176228D+02 -0.555712D+01  0.154169D+02
      2  -0.159072D+02  0.389757D+01 -0.210753D+02  0.717591D+01 -0.182925D+02
      3   0.504836D+01  0.284845D+01  0.345251D+01 -0.161878D+01  0.287557D+01
      4  -0.193131D+01  0.139139D+01  0.437270D+01 -0.129920D+02 -0.373739D+01
      5  -0.153931D+01  0.110783D+01 -0.663070D+01  0.234372D+00  0.621973D+00
      6   0.859317D+00 -0.137373D+02  0.122704D+02 -0.164340D+02 -0.278375D+01
                26            27            28            29            30 
      1  -0.849334D+01  0.157053D+02 -0.431652D+01 -0.125699D+01 -0.244207D+01
      2   0.101273D+02 -0.213943D+02  0.392197D+01  0.102727D+02  0.877653D+01
      3  -0.163395D+01  0.568905D+01  0.394553D+00 -0.901569D+01 -0.633446D+01
      4  -0.144675D+02 -0.320880D+01 -0.130225D+02 -0.125307D+02  0.129808D+02
      5  -0.640148D+00 -0.383167D+01  0.103396D+02  0.112127D+02 -0.107153D+02
      6  -0.255317D+02  0.133508D+01  0.833596D+01  0.119440D+02 -0.125195D+02
                31            32            33            34            35 
      1   0.127639D+01 -0.594948D+01  0.685224D+01 -0.298093D+01  0.129485D+02
      2   0.470983D+01  0.114884D+02 -0.513682D+01  0.776229D+01 -0.617336D+01
      3  -0.598622D+01 -0.553892D+01 -0.171541D+01 -0.478136D+01 -0.677517D+01
      4  -0.125514D+02 -0.598071D+01  0.578033D+01  0.179032D+02  0.638495D+01
      5   0.803757D+01  0.223956D+01 -0.289121D+01 -0.914746D+01 -0.282587D+01
      6   0.778196D+01  0.236361D+01 -0.606293D+01 -0.899283D+01  0.252531D+00
                36            37            38            39            40 
      1  -0.590406D+01  0.463815D+01  0.148962D+02  0.133632D+02  0.168240D+02
      2   0.857723D+01 -0.102891D+02 -0.101800D+02 -0.650837D+01 -0.877661D+01
      3  -0.267317D+01  0.565094D+01 -0.471615D+01 -0.685488D+01 -0.804743D+01
      4  -0.391343D-01  0.136687D+02 -0.837954D+00 -0.958787D+01  0.129432D+01
      5  -0.953252D+00  0.147415D+02 -0.395579D+01  0.713306D+01 -0.201897D+01
      6  -0.139134D+00 -0.171610D+01  0.282819D+00  0.331170D+01  0.351873D+01
                41            42            43            44            45 
      1  -0.194676D+01 -0.174504D+01  0.148137D+02 -0.518791D+01  0.580605D+01
      2  -0.131592D+00  0.599817D+01 -0.766278D+01  0.382400D+01 -0.117019D+01
      3   0.207835D+01 -0.425313D+01 -0.715091D+01  0.136391D+01 -0.463586D+01
      4  -0.467603D+01  0.956781D+01 -0.125286D+02  0.823112D+01 -0.108362D+02
      5   0.116628D+02 -0.702733D+01  0.420023D+01 -0.921035D+01 -0.538739D+01
      6  -0.362361D+00  0.640789D+01 -0.207581D+01 -0.300394D+00 -0.181853D+01
                46            47            48            49            50 
      1  -0.821922D+01 -0.673272D-01 -0.320418D+01  0.725499D+00  0.230469D+02
      2   0.519253D+01  0.463646D+01  0.448110D+01  0.900512D+00 -0.362247D+02
      3   0.302670D+01 -0.456913D+01 -0.127693D+01 -0.162601D+01  0.131778D+02
      4   0.389077D+01  0.304979D+01  0.282985D+01  0.334343D+01  0.134211D+01
      5  -0.605332D+01 -0.386300D+01 -0.364886D+01 -0.504291D+01 -0.730387D+01
      6   0.777353D-01  0.856431D+00 -0.455693D+01 -0.322904D+01 -0.399143D+01
                51            52            53            54            55 
      1  -0.655389D+01 -0.109504D+01 -0.159635D+01  0.201321D+00  0.559428D+01
      2  -0.877393D+00  0.412336D+01 -0.119159D+01  0.845994D+01  0.816766D+01
      3   0.743128D+01 -0.302831D+01  0.278795D+01 -0.866126D+01 -0.137619D+02
      4  -0.399035D+01  0.617618D+01  0.164261D+01  0.133694D+01  0.182150D+01
      5   0.897270D+00 -0.222406D+01  0.147970D+01 -0.183359D+01 -0.610774D+01
      6  -0.539302D-01  0.576391D-01  0.412322D+01 -0.218307D+01  0.769358D+00
                56            57            58            59            60 
      1  -0.717368D+01 -0.482328D+00 -0.666454D+01 -0.519536D+01  0.693850D+01
      2  -0.880929D+01 -0.313184D+00 -0.777076D+01 -0.115917D+01  0.539584D+01
      3   0.159830D+02  0.795512D+00  0.144353D+02  0.635453D+01 -0.123343D+02
      4  -0.143740D+01 -0.210724D+01 -0.104291D+01  0.177446D+01  0.353270D+01
      5   0.134986D+01 -0.137691D+02  0.299945D+01  0.719618D+01  0.100440D+02
      6   0.422814D+01  0.157688D+02  0.772357D+01  0.125746D+01  0.205147D+01
                61            62            63            64            65 
      1  -0.259321D+01  0.122385D+01 -0.223374D+01  0.103840D+02 -0.459218D+01
      2  -0.177554D+01  0.797836D+01 -0.123454D+01 -0.543271D+01  0.714501D+00
      3   0.436875D+01 -0.920221D+01  0.346827D+01 -0.495129D+01  0.387768D+01
      4  -0.668706D+01  0.110343D+00  0.422066D+01 -0.149105D+02  0.117153D+02
      5  -0.938266D+01  0.777742D+01  0.186870D+01 -0.120996D+02  0.664119D+01
      6   0.112132D+02 -0.139155D+01 -0.679272D+01  0.759879D+01 -0.630098D+01
                66            67            68            69            70 
      1  -0.401802D+01 -0.253475D+01 -0.333108D+01 -0.190914D+01 -0.564958D+01
      2   0.274992D+01 -0.118093D+01  0.781423D+01  0.293499D+01  0.489694D+01
      3   0.126810D+01  0.371568D+01 -0.448315D+01 -0.102585D+01  0.752645D+00
      4   0.857156D+01  0.136068D+02 -0.130466D+02 -0.108370D+02  0.135444D+02
      5   0.125908D+02  0.649893D+01 -0.904459D+01 -0.792318D+01  0.178558D+02
      6  -0.709057D+01 -0.739081D+01  0.107709D+02  0.104033D+02 -0.120201D+02
                71            72            73            74            75 
      1  -0.192143D+01 -0.314930D-02 -0.217639D+02  0.182329D+02  0.194729D+02
      2   0.229127D+01 -0.604076D+01  0.224130D+02 -0.571489D+01 -0.119243D+02
      3  -0.369842D+00  0.604391D+01 -0.649140D+00 -0.125181D+02 -0.754859D+01
      4  -0.148017D+02 -0.156202D+02  0.226569D+02  0.151994D+02 -0.714521D-03
      5  -0.115577D+02 -0.202129D+02  0.233291D+02 -0.470341D+01 -0.158694D+02
      6   0.135539D+02  0.176762D+02  0.435326D+01 -0.262230D+00 -0.396263D+01
                76            77            78            79            80 
      1   0.313575D+02  0.218809D+02 -0.953737D+01  0.232758D+02 -0.628653D+01
      2  -0.181236D+02 -0.310350D+02  0.115036D+02 -0.116274D+02  0.104927D+02
      3  -0.132340D+02  0.915408D+01 -0.196623D+01 -0.116484D+02 -0.420617D+01
      4   0.103298D+02 -0.270971D+02  0.940626D+01  0.333844D+01  0.104750D+02
      5  -0.630191D+01  0.109107D+02  0.405350D+01 -0.227465D+02 -0.458797D-01
      6   0.409544D+00  0.128503D+02 -0.899240D+00 -0.670433D+01 -0.180912D+01
                81            82            83            84            85 
      1  -0.172984D+02 -0.962308D+00  0.222845D+01 -0.233837D+01  0.204679D+01
      2   0.120766D+02 -0.291655D+01 -0.563149D+00  0.341071D+00 -0.690559D+00
      3   0.522180D+01  0.387886D+01 -0.166530D+01  0.199730D+01 -0.135624D+01
      4  -0.362523D+01  0.180109D+01  0.293711D+01 -0.910593D+00  0.413935D+01
      5  -0.265061D+02  0.141834D+00 -0.533290D+00  0.533997D+01 -0.370192D+00
      6  -0.129953D+02 -0.116103D+01  0.554355D+00 -0.659874D+00  0.435192D+00
                86            87            88            89            90 
      1  -0.355452D+01  0.317142D+01 -0.494992D+01  0.315369D+01 -0.204579D+02
      2   0.796229D+00 -0.725608D+00  0.109999D+01  0.144707D+01 -0.130694D+02
      3   0.275830D+01 -0.244581D+01  0.384993D+01 -0.460076D+01  0.335273D+02
      4   0.672926D+00 -0.255343D+01 -0.281182D+01 -0.423123D+01  0.199042D+01
      5  -0.216514D+01  0.266633D+01  0.429268D+01  0.345599D+01 -0.179620D+02
      6  -0.355989D+01  0.787998D+01  0.246712D+00  0.622307D+01 -0.120618D+02
                91            92            93            94            95 
      1   0.147935D+02  0.363400D+01 -0.219987D+01  0.591342D+00 -0.374476D+01
      2  -0.802910D+01  0.496322D+00  0.256463D+01  0.268992D+01  0.951982D+01
      3  -0.676443D+01 -0.413032D+01 -0.364756D+00 -0.328126D+01 -0.577506D+01
      4   0.228569D+02  0.179460D+02 -0.116855D+02  0.156581D+02  0.164180D+02
      5  -0.194381D+02 -0.118626D+02  0.152039D+02 -0.895640D+01 -0.966439D+01
      6  -0.123997D+02 -0.111963D+02  0.100004D+02 -0.981710D+01 -0.134588D+02
                96            97            98            99           100 
      1   0.188037D+01 -0.954669D+00  0.160724D+01 -0.240349D+01 -0.272708D+01
      2  -0.155385D+01  0.236140D+01  0.191273D+00 -0.503830D+01  0.484331D+01
      3  -0.326520D+00 -0.140673D+01 -0.179851D+01  0.744180D+01 -0.211623D+01
      4  -0.892706D+01 -0.979963D+01 -0.834195D+01  0.944912D+01 -0.193736D+02
      5   0.672982D+01  0.134915D+02  0.871587D+01 -0.117640D+02 -0.159853D+02
      6   0.100399D+02  0.947304D+01  0.100865D+02 -0.115600D+02 -0.167753D+02
               101           102           103           104           105 
      1  -0.199300D+02 -0.141360D+02 -0.234814D+02  0.282573D+01 -0.809107D+01
      2   0.493438D+01  0.302744D+01  0.571861D+01  0.879833D+01 -0.668843D+01
      3   0.149957D+02  0.111085D+02  0.177628D+02 -0.116241D+02  0.147795D+02
      4  -0.817484D+01 -0.184213D+01 -0.110792D+02  0.251795D+01 -0.147425D+02
      5  -0.116072D+02 -0.787877D+01 -0.119671D+02 -0.161480D+02  0.101028D+02
      6  -0.629917D+01  0.274148D+01 -0.974499D+01  0.673887D+01 -0.198067D+02
               106           107           108           109           110 
      1  -0.114663D+02 -0.358335D+01 -0.249904D+01 -0.230188D+02 -0.296728D+02
      2   0.268131D+01 -0.672896D+01 -0.537686D+01  0.167676D+02  0.176435D+02
      3   0.878498D+01  0.103123D+02  0.787590D+01  0.625119D+01  0.120292D+02
      4   0.266666D+01 -0.999857D+01  0.107347D+02 -0.281343D+02 -0.196188D+01
      5  -0.705855D+01  0.113284D+02  0.629119D+01 -0.107582D+02  0.740613D+01
      6   0.723640D+01 -0.136859D+02  0.136560D+02  0.595001D+01 -0.307745D+01
               111           112           113           114           115 
      1  -0.988590D+01 -0.392472D+02 -0.356237D+01  0.213991D+01 -0.114606D+02
      2   0.227545D+01  0.251311D+02 -0.714387D+01  0.634851D+01  0.125109D+01
      3   0.761046D+01  0.141161D+02  0.107062D+02 -0.848842D+01  0.102095D+02
      4   0.807795D+01 -0.100981D+02  0.170119D+02 -0.151643D+02  0.105860D+02
      5   0.132901D+01  0.903033D+01 -0.137879D+02  0.148811D+02 -0.260644D+01
      6   0.197196D+00 -0.450519D+01  0.895517D+01 -0.869471D+01  0.361610D+01
               116           117           118           119           120 
      1   0.235238D+01  0.662408D+01 -0.107092D+00  0.165917D+01 -0.320916D+00
      2   0.818566D+01 -0.643292D+01  0.401350D+01 -0.235596D+01 -0.607078D+00
      3  -0.105380D+02 -0.191154D+00 -0.390641D+01  0.696790D+00  0.927993D+00
      4  -0.164344D+02  0.165161D+02 -0.800564D-01  0.976315D+01 -0.105291D+01
      5   0.174430D+02  0.213730D+02  0.582280D+00  0.327930D+00  0.275187D+01
      6  -0.823036D+01 -0.905148D+01  0.161082D+00 -0.356257D+00 -0.721735D-03
               121           122           123           124           125 
      1   0.416893D+00 -0.293239D+02 -0.481526D+00 -0.637244D+00  0.107415D+00
      2   0.132736D+01  0.536047D+02 -0.494744D+00 -0.805482D+00 -0.159615D+01
      3  -0.174425D+01 -0.242808D+02  0.976270D+00  0.144273D+01  0.148874D+01
      4   0.815530D+01  0.132799D+01  0.280376D+00 -0.178574D+01 -0.561192D+00
      5   0.233594D+00  0.133269D+01  0.216708D+00  0.213670D+01  0.928937D-01
      6   0.416609D+00  0.529285D+01  0.655802D+01  0.710692D+00  0.812707D+01
               126           127           128           129           130 
      1  -0.422508D+01 -0.180981D+00  0.188326D+01  0.692382D+01  0.224650D+01
      2   0.379858D+01 -0.715733D+01  0.317347D+01  0.792941D+01  0.162715D+01
      3   0.426499D+00  0.733831D+01 -0.505674D+01 -0.148532D+02 -0.387365D+01
      4   0.282729D+00 -0.476388D+01  0.364119D+01  0.349346D+01  0.415159D+01
      5   0.108055D+01 -0.893473D+01  0.429518D+01  0.123127D+02  0.407428D+01
      6   0.604620D+00  0.528151D+01 -0.601946D+01 -0.771828D+01 -0.585567D+01
               131           132           133           134           135 
      1  -0.610858D+01 -0.930181D+01  0.411621D+01 -0.656588D+01 -0.171645D+02
      2  -0.167239D-01 -0.362432D+01  0.542069D+01 -0.436017D+01 -0.156502D+02
      3   0.612530D+01  0.129261D+02 -0.953690D+01  0.109261D+02  0.328147D+02
      4  -0.368311D+01 -0.341790D+01  0.314434D+01 -0.282729D+01 -0.451716D+01
      5  -0.507807D+01 -0.521447D+01  0.104688D+02 -0.516045D+01 -0.124531D+02
      6   0.111114D+02  0.130246D+02 -0.614704D+01  0.995075D+01  0.152261D+02
               136           137           138           139           140 
      1   0.177588D+01  0.166415D+01 -0.606948D+01  0.163903D+01 -0.161280D+01
      2  -0.107488D+02  0.142721D+01 -0.111400D+02  0.231475D+01  0.559333D+00
      3   0.897287D+01 -0.309136D+01  0.172095D+02 -0.395377D+01  0.105347D+01
      4   0.792266D+00  0.380848D+01 -0.227607D+00  0.352943D+01 -0.755195D+00
      5   0.189641D+02 -0.204514D+01  0.172278D+02 -0.377046D+01  0.253290D+01
      6  -0.252558D+01  0.400007D+01 -0.346313D+01  0.299931D+01 -0.382696D+01
               141           142           143           144           145 
      1   0.204375D+01 -0.251481D+01  0.717991D+00 -0.870154D+01 -0.781057D+01
      2   0.162884D+01 -0.780974D+01 -0.197075D+00 -0.120446D+02  0.169653D+01
      3  -0.367259D+01  0.103245D+02 -0.520916D+00  0.207461D+02  0.611404D+01
      4   0.113759D+01  0.320337D+00  0.136497D+01 -0.616052D+00  0.199277D+01
      5  -0.418467D+01  0.135681D+02 -0.213785D+01  0.140302D+02 -0.884337D+01
      6   0.567458D+01 -0.251471D+01  0.449443D+01 -0.168635D+01  0.654649D+01
               146           147           148           149           150 
      1   0.833248D+01  0.107655D+02  0.855560D+01 -0.851727D+01 -0.640526D+01
      2  -0.252315D+01  0.336834D+01 -0.348311D+01  0.332459D+01 -0.808155D+00
      3  -0.580933D+01 -0.141339D+02 -0.507249D+01  0.519268D+01  0.721341D+01
      4   0.485123D+00 -0.824848D+00  0.237759D+01  0.103017D+01  0.304638D+01
      5   0.403648D+01  0.173570D+01  0.566080D+01 -0.492819D+00 -0.630474D+00
      6  -0.578091D+01 -0.589106D+01 -0.369541D+01  0.708357D+01  0.927105D+01
               151           152           153           154           155 
      1   0.705275D+01 -0.570475D+01 -0.111084D+02  0.280339D+02  0.101248D+02
      2   0.128412D+01  0.401943D+00 -0.286102D+01 -0.163150D+02 -0.348352D+01
      3  -0.833687D+01  0.530281D+01  0.139694D+02 -0.117189D+02 -0.664127D+01
      4  -0.366054D+00  0.146941D+01  0.134364D+00  0.192310D+02  0.145349D+02
      5   0.527232D+01 -0.222467D+01 -0.259282D+01  0.280121D+02  0.126408D+02
      6  -0.507173D+01  0.782577D+01  0.584568D+01  0.122348D+02  0.984763D+01
               156           157           158           159           160 
      1   0.619170D+01  0.121427D+02  0.417871D+01  0.159793D+01  0.456364D+00
      2  -0.883722D+01 -0.434160D+01  0.255338D+00 -0.276224D+01 -0.398732D+01
      3   0.264552D+01 -0.780106D+01 -0.443405D+01  0.116431D+01  0.353095D+01
      4   0.714958D+01  0.165200D+02  0.145601D+02  0.807031D+01  0.225149D+01
      5   0.180681D+02  0.149500D+02  0.116187D+02  0.875876D+01  0.103189D+02
      6   0.592389D+01  0.104746D+02  0.989965D+01  0.921169D+01  0.360002D+01
               161           162           163           164           165 
      1  -0.110462D-01  0.163809D+01  0.169143D+01 -0.413022D+00  0.340763D+01
      2  -0.114663D+01 -0.406559D+01 -0.351308D+01  0.183613D+01 -0.426328D+01
      3   0.115767D+01  0.242750D+01  0.182165D+01 -0.142310D+01  0.855652D+00
      4   0.285906D+01  0.333193D+01 -0.181868D+01  0.541844D+01 -0.289997D+01
      5   0.416350D+01  0.742804D+01  0.759530D+01 -0.357628D+01  0.923697D+01
      6   0.555142D+01  0.285814D+01 -0.243291D+01  0.292730D+01 -0.242688D+01
               166           167           168           169           170 
      1  -0.121271D+00 -0.805209D+01  0.106796D+02  0.101489D+01  0.655212D+01
      2   0.320733D+01 -0.390601D+00  0.793280D+01 -0.467936D+01  0.526510D+01
      3  -0.308606D+01  0.844269D+01 -0.186124D+02  0.366447D+01 -0.118172D+02
      4   0.779343D+01 -0.133659D+02  0.106028D+02 -0.313097D+01  0.688509D+01
      5  -0.855999D+01  0.111541D+02 -0.157216D+02  0.931368D+01 -0.853828D+01
      6   0.658300D+01 -0.214772D+02  0.200063D+02 -0.399881D+01  0.142272D+02
               171           172           173           174           175 
      1  -0.118335D+02  0.208826D+01  0.124548D+01 -0.394089D+01  0.222319D+01
      2  -0.116664D+02 -0.306450D+01  0.193110D-01  0.304917D+01 -0.223002D+01
      3   0.235000D+02  0.976244D+00 -0.126479D+01  0.891715D+00  0.682447D-02
      4  -0.808858D+01  0.109715D+01  0.158127D+01  0.290034D+01  0.559234D+01
      5   0.152893D+02 -0.383170D+01  0.154237D+01  0.556483D+01  0.236084D+01
      6  -0.160046D+02  0.206428D+01 -0.347150D+00 -0.137807D+01 -0.162442D+01
               176           177           178           179           180 
      1  -0.187241D+01 -0.290012D+01 -0.945286D+01 -0.173525D+01 -0.661128D+01
      2   0.365360D+01  0.160048D+01  0.556261D+01  0.143396D+01 -0.495237D+01
      3  -0.178119D+01  0.129964D+01  0.389025D+01  0.301291D+00  0.115636D+02
      4  -0.845928D+01 -0.563785D+01  0.745832D+01 -0.885329D+01 -0.116295D+02
      5  -0.550707D+01 -0.991702D+01  0.122738D+02 -0.124143D+02 -0.339070D+02
      6   0.518145D+01  0.954550D+01 -0.436469D+01  0.995565D+01  0.172631D+02
               181           182           183           184           185 
      1   0.933558D+01 -0.421361D+01  0.397827D+01 -0.523693D+01 -0.294654D+01
      2  -0.189273D+01 -0.564343D+00 -0.806865D+00 -0.562930D+01  0.231899D+02
      3  -0.744285D+01  0.477796D+01 -0.317141D+01  0.108662D+02 -0.202434D+02
      4  -0.754276D+01  0.115199D+02 -0.515097D+01  0.219120D+02 -0.376138D+02
      5   0.447950D+01 -0.401902D+01  0.344778D+01 -0.609845D+01  0.119953D+02
      6  -0.305790D+01  0.143995D+01 -0.844641D+00  0.388689D+01 -0.984173D+01
               186           187           188           189           190 
      1   0.152116D+01  0.885188D+01  0.697249D+00 -0.194032D+01  0.686838D+02
      2  -0.711009D+01 -0.135355D+01 -0.851368D+01  0.331945D+01 -0.373842D+02
      3   0.558893D+01 -0.749833D+01  0.781643D+01 -0.137913D+01 -0.312996D+02
      4   0.128338D+02 -0.123486D+02  0.181658D+02 -0.118218D+02  0.809659D+01
      5  -0.116972D+02  0.766823D+01 -0.119943D+02  0.980133D+01 -0.807063D+00
      6   0.913898D+01 -0.471075D+01  0.980636D+01 -0.783921D+01 -0.153124D+01
               191           192           193           194           195 
      1   0.166490D+02  0.197253D+01  0.352912D+02  0.122454D+02  0.574327D+00
      2  -0.106273D+02 -0.793073D+00 -0.195577D+02 -0.521200D+01 -0.936476D+00
      3  -0.602172D+01 -0.117946D+01 -0.157336D+02 -0.703342D+01  0.362149D+00
      4   0.112985D+02  0.456706D-01  0.135311D+02  0.105387D+02  0.218085D+01
      5  -0.583230D+00  0.829156D+01 -0.176449D+01  0.139877D+01  0.473884D+01
      6  -0.629786D+00 -0.952458D+00 -0.723398D+00 -0.169803D+01  0.151617D+01
               196           197           198           199           200 
      1   0.629279D+01  0.331880D+00  0.580094D+01  0.244302D+02 -0.373596D+01
      2  -0.270405D+01 -0.153681D+01 -0.389132D+01 -0.126201D+02  0.267307D-01
      3  -0.358874D+01  0.120493D+01 -0.190963D+01 -0.118102D+02  0.370923D+01
      4  -0.986696D+00  0.318801D+01  0.324345D+00 -0.149658D+02  0.998010D+01
      5   0.102768D+02  0.118055D+01 -0.903306D-01  0.132935D+02 -0.240696D+01
      6  -0.401769D+00  0.196918D+01  0.890948D+00 -0.502160D+01  0.798699D+00
               201           202           203           204           205 
      1   0.104009D+02 -0.642442D+00  0.269420D+01  0.517032D+00  0.162897D+02
      2  -0.586114D+01 -0.127305D+01 -0.765526D+00 -0.936118D+00 -0.990130D+01
      3  -0.453981D+01  0.191549D+01 -0.192868D+01  0.419086D+00 -0.638838D+01
      4  -0.637202D+01  0.792232D+01 -0.332134D+01  0.331540D+01 -0.956518D+01
      5   0.113411D+02 -0.567738D+00  0.330348D+01 -0.222063D+01  0.140273D+02
      6  -0.460711D+01  0.174369D+01 -0.156569D+01  0.367847D+01 -0.652441D+01
               206           207           208           209           210 
      1   0.104620D+00  0.755747D+01 -0.155132D+01  0.469649D+01 -0.288198D+01
      2  -0.208139D+01 -0.670243D+01  0.512523D+01 -0.869522D+01  0.405723D+01
      3   0.197677D+01 -0.855040D+00 -0.357391D+01  0.399872D+01 -0.117525D+01
      4   0.697779D+01 -0.962083D+01 -0.692662D+01  0.123103D+02 -0.494489D+01
      5  -0.534804D+01  0.133383D+02  0.229243D+01 -0.388783D+01  0.422654D+01
      6   0.391812D+01 -0.613757D+01 -0.529795D+01  0.710160D+01 -0.375109D+01
               211           212           213           214           215 
      1   0.348987D+01 -0.303601D+02  0.128485D+02 -0.384632D+01  0.200208D+02
      2  -0.696547D+01  0.460812D+02 -0.165595D+02  0.565356D+01 -0.245701D+02
      3   0.347560D+01 -0.157211D+02  0.371100D+01 -0.180723D+01  0.454935D+01
      4   0.808769D+01 -0.119278D+02  0.587872D+01 -0.500438D+01  0.868264D+01
      5  -0.226611D+01  0.478143D+01 -0.261644D+01  0.375706D+01 -0.479592D+01
      6   0.547120D+01 -0.255848D+02  0.177164D+02 -0.421402D+01  0.256225D+02
               216           217           218           219           220 
      1  -0.157018D+02 -0.132880D+01 -0.511826D+01 -0.332825D+01 -0.320475D+01
      2   0.134351D+02  0.346367D+01  0.107415D+02  0.527254D+01  0.635560D+01
      3   0.226674D+01 -0.213487D+01 -0.562320D+01 -0.194429D+01 -0.315085D+01
      4  -0.485049D+01  0.789081D+01  0.845696D+01  0.536615D+01  0.587791D+01
      5   0.433631D+01  0.295145D+01  0.204724D+01  0.377246D+01  0.133999D+01
      6  -0.202965D+02  0.597162D+01  0.601330D+01  0.494512D+01  0.521423D+01
               221           222           223           224           225 
      1  -0.161880D+02 -0.685212D+01 -0.585475D+01 -0.121988D+02 -0.116330D+02
      2   0.251866D+02  0.993067D+01  0.556150D+01  0.170958D+02  0.112000D+02
      3  -0.899855D+01 -0.307855D+01  0.293254D+00 -0.489700D+01  0.433058D+00
      4   0.653536D+01  0.431252D+01  0.647946D+01  0.551768D+01  0.493187D+01
      5   0.228785D+01  0.108068D+01  0.369788D+01  0.165598D+01  0.304534D+01
      6   0.114583D+02  0.127205D+02  0.619963D+01  0.176802D+02  0.171545D+02
               226           227           228           229           230 
      1   0.104184D+02 -0.714876D+00  0.540286D+01 -0.550760D+01 -0.217529D+01
      2  -0.806190D+01  0.348829D+00 -0.384210D+01  0.378970D+01  0.318222D+01
      3  -0.235648D+01  0.366047D+00 -0.156076D+01  0.171789D+01 -0.100693D+01
      4   0.157345D+01  0.115942D+01  0.304225D+01  0.206009D+01  0.359393D+01
      5   0.639660D+01  0.166811D+01  0.122953D+02  0.771597D+00  0.343349D+01
      6   0.256795D+01  0.689469D+00  0.359376D+01  0.129231D+01  0.706436D+00
               231           232           233           234           235 
      1  -0.142556D+00  0.134704D+02  0.167634D+01  0.550975D+01  0.683626D+02
      2   0.105659D+01 -0.803254D+01  0.121441D+01 -0.116774D+02 -0.397886D+02
      3  -0.914033D+00 -0.543787D+01 -0.289074D+01  0.616761D+01 -0.285740D+02
      4   0.397831D+01  0.914939D+01  0.925282D+01  0.581646D+01  0.657421D+01
      5  -0.983114D-01  0.180650D+02  0.408102D+01  0.379679D+02 -0.266178D+02
      6   0.384953D+01  0.618000D+01  0.506951D+01  0.168615D+02 -0.430181D+01
               236           237           238           239           240 
      1  -0.677241D+01 -0.193364D+02 -0.223819D+02  0.525352D+01  0.602940D+01
      2   0.573058D+01  0.130200D+02  0.139757D+02 -0.172689D+01 -0.546028D+01
      3   0.104183D+01  0.631644D+01  0.840622D+01 -0.352664D+01 -0.569114D+00
      4   0.851913D+01 -0.144949D+01  0.627824D+01 -0.299152D+01 -0.418371D+01
      5   0.239890D+01  0.177865D+02  0.808656D+01 -0.527518D+01 -0.656077D+01
      6  -0.918198D+00  0.375199D+01 -0.650095D+00 -0.353667D+00  0.616968D+00
               241           242           243           244           245 
      1  -0.260947D+02  0.237947D+01  0.134476D+02  0.133379D+01  0.579337D+01
      2   0.176480D+02 -0.392255D+01 -0.123983D+02  0.141530D+01 -0.460512D+01
      3   0.844663D+01  0.154308D+01 -0.104935D+01 -0.274909D+01 -0.118826D+01
      4  -0.395011D+01 -0.701687D+01  0.104930D+01  0.232682D+01  0.435301D+01
      5   0.227867D+02 -0.181359D+01 -0.135902D+02 -0.270081D+01 -0.592934D+00
      6   0.413786D+01  0.221759D+01 -0.143345D+01 -0.212833D+01  0.510598D+00
               246           247           248           249           250 
      1  -0.332614D+01  0.499497D+01 -0.214166D+02  0.488288D+01 -0.521492D+01
      2   0.184830D+01  0.343486D+01  0.455296D+02 -0.709670D+01  0.192027D+01
      3   0.147784D+01 -0.842982D+01 -0.241129D+02  0.221381D+01  0.329466D+01
      4  -0.118572D+01  0.167746D+02  0.484027D+02 -0.838107D+01 -0.452205D+01
      5   0.184948D+01 -0.223596D+01 -0.883212D+01  0.748881D+01  0.551652D+01
      6  -0.553469D+00 -0.262161D+01 -0.133809D+02  0.941917D+01  0.248874D+01
               251           252 
      1   0.512437D+01 -0.222796D+01
      2  -0.754793D+01  0.318091D+01
      3   0.242356D+01 -0.952954D+00
      4  -0.103721D+02  0.677251D+01
      5   0.692575D+01 -0.222001D+01
      6   0.102225D+02 -0.450590D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:54:59 2021, MaxMem=  5637144576 cpu:           19793.2 elap:            2493.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18707 -10.18133 -10.18059 -10.17893 -10.17552
 Alpha  occ. eigenvalues --  -10.17529 -10.17306 -10.17062 -10.16958 -10.16866
 Alpha  occ. eigenvalues --   -0.87209  -0.77883  -0.74362  -0.72687  -0.67599
 Alpha  occ. eigenvalues --   -0.65805  -0.61329  -0.58371  -0.56189  -0.49481
 Alpha  occ. eigenvalues --   -0.48608  -0.47507  -0.45067  -0.43010  -0.42336
 Alpha  occ. eigenvalues --   -0.41106  -0.39952  -0.38851  -0.38370  -0.36978
 Alpha  occ. eigenvalues --   -0.36878  -0.35426  -0.35084  -0.33937  -0.33054
 Alpha  occ. eigenvalues --   -0.30762  -0.29031  -0.28589  -0.27243
 Alpha virt. eigenvalues --    0.01328   0.02974   0.03783   0.04064   0.06150
 Alpha virt. eigenvalues --    0.06441   0.06691   0.06835   0.07360   0.09033
 Alpha virt. eigenvalues --    0.09366   0.10039   0.10969   0.11444   0.12018
 Alpha virt. eigenvalues --    0.12205   0.13298   0.13360   0.14437   0.14934
 Alpha virt. eigenvalues --    0.15569   0.16064   0.16274   0.17222   0.17472
 Alpha virt. eigenvalues --    0.17917   0.19314   0.19504   0.20584   0.21170
 Alpha virt. eigenvalues --    0.21380   0.22387   0.23187   0.23952   0.24383
 Alpha virt. eigenvalues --    0.25233   0.25787   0.25995   0.26800   0.27495
 Alpha virt. eigenvalues --    0.28596   0.29501   0.29824   0.30099   0.31048
 Alpha virt. eigenvalues --    0.31308   0.31662   0.31841   0.32373   0.32618
 Alpha virt. eigenvalues --    0.33190   0.33395   0.33926   0.34463   0.34611
 Alpha virt. eigenvalues --    0.35029   0.35405   0.35779   0.36192   0.36587
 Alpha virt. eigenvalues --    0.37090   0.37234   0.37922   0.38231   0.38655
 Alpha virt. eigenvalues --    0.39387   0.39757   0.40119   0.40373   0.40646
 Alpha virt. eigenvalues --    0.40926   0.41698   0.41992   0.42767   0.43397
 Alpha virt. eigenvalues --    0.43882   0.44075   0.45073   0.45489   0.46303
 Alpha virt. eigenvalues --    0.46793   0.47152   0.47488   0.47982   0.49015
 Alpha virt. eigenvalues --    0.49277   0.49587   0.50323   0.50707   0.51132
 Alpha virt. eigenvalues --    0.51426   0.52062   0.52252   0.53183   0.53698
 Alpha virt. eigenvalues --    0.53996   0.54195   0.54477   0.55024   0.55280
 Alpha virt. eigenvalues --    0.55914   0.56421   0.57345   0.57477   0.57622
 Alpha virt. eigenvalues --    0.58064   0.59397   0.60039   0.60773   0.61090
 Alpha virt. eigenvalues --    0.61318   0.61802   0.63240   0.64070   0.64576
 Alpha virt. eigenvalues --    0.65345   0.65732   0.66596   0.67341   0.67397
 Alpha virt. eigenvalues --    0.67904   0.69056   0.69903   0.70410   0.71085
 Alpha virt. eigenvalues --    0.71530   0.71929   0.72348   0.74582   0.75443
 Alpha virt. eigenvalues --    0.76395   0.77623   0.78674   0.79525   0.80088
 Alpha virt. eigenvalues --    0.80841   0.81414   0.82695   0.82921   0.83815
 Alpha virt. eigenvalues --    0.85561   0.86083   0.86853   0.91146   0.93596
 Alpha virt. eigenvalues --    0.94911   0.96164   0.96639   0.97551   0.98111
 Alpha virt. eigenvalues --    0.98695   1.00082   1.00428   1.01179   1.02693
 Alpha virt. eigenvalues --    1.03796   1.03970   1.04436   1.05244   1.05388
 Alpha virt. eigenvalues --    1.06386   1.07810   1.08392   1.09824   1.10215
 Alpha virt. eigenvalues --    1.11119   1.11800   1.15138   1.16703   1.17592
 Alpha virt. eigenvalues --    1.18959   1.19956   1.21278   1.24657   1.25691
 Alpha virt. eigenvalues --    1.26719   1.29643   1.30383   1.33246   1.34654
 Alpha virt. eigenvalues --    1.36129   1.36300   1.37387   1.40089   1.41023
 Alpha virt. eigenvalues --    1.41894   1.43651   1.45199   1.45817   1.47305
 Alpha virt. eigenvalues --    1.49262   1.52148   1.52967   1.54116   1.55352
 Alpha virt. eigenvalues --    1.56329   1.59768   1.60847   1.63534   1.64457
 Alpha virt. eigenvalues --    1.66449   1.67896   1.70242   1.71883   1.72449
 Alpha virt. eigenvalues --    1.74202   1.74338   1.75613   1.77262   1.77711
 Alpha virt. eigenvalues --    1.79371   1.79811   1.85811   1.86747   1.87198
 Alpha virt. eigenvalues --    1.87745   1.88791   1.90569   1.91948   1.93762
 Alpha virt. eigenvalues --    1.94208   1.95663   1.96029   1.96551   1.98750
 Alpha virt. eigenvalues --    2.00174   2.01205   2.02655   2.02973   2.04151
 Alpha virt. eigenvalues --    2.05279   2.07594   2.07796   2.09947   2.10606
 Alpha virt. eigenvalues --    2.11458   2.12771   2.14195   2.16232   2.16720
 Alpha virt. eigenvalues --    2.18767   2.19176   2.20639   2.21985   2.23450
 Alpha virt. eigenvalues --    2.24485   2.25245   2.28739   2.29543   2.30707
 Alpha virt. eigenvalues --    2.31886   2.33313   2.34420   2.34749   2.36338
 Alpha virt. eigenvalues --    2.37875   2.39216   2.40103   2.42368   2.44112
 Alpha virt. eigenvalues --    2.45428   2.47368   2.48536   2.50872   2.52363
 Alpha virt. eigenvalues --    2.55121   2.57623   2.58442   2.60886   2.61160
 Alpha virt. eigenvalues --    2.62592   2.64789   2.66112   2.67498   2.68569
 Alpha virt. eigenvalues --    2.69495   2.72132   2.72528   2.74450   2.75760
 Alpha virt. eigenvalues --    2.77176   2.80842   2.83447   2.84046   2.89722
 Alpha virt. eigenvalues --    2.95495   2.98440   3.00204   3.02004   3.06237
 Alpha virt. eigenvalues --    3.07322   3.09010   3.10403   3.13969   3.15301
 Alpha virt. eigenvalues --    3.17147   3.18041   3.18722   3.19849   3.20596
 Alpha virt. eigenvalues --    3.23574   3.27513   3.28378   3.33209   3.34478
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.984570   0.121946   0.120754   0.344738  -0.348120   0.205709
     2  C    0.121946   6.843118   0.286115  -0.193515  -0.158538   0.048904
     3  C    0.120754   0.286115   5.034848   0.143536   0.043271  -0.084328
     4  C    0.344738  -0.193515   0.143536   7.356309  -2.067104   0.922677
     5  C   -0.348120  -0.158538   0.043271  -2.067104  17.946503  -1.778749
     6  C    0.205709   0.048904  -0.084328   0.922677  -1.778749   7.831484
     7  C   -0.183168  -0.193016  -0.203584  -0.498777   0.156075  -0.533899
     8  H    0.031079   0.180573  -0.168765   0.002132   0.019617   0.038717
     9  C   -0.031771  -0.009336   0.003909  -0.008384   0.102386  -0.006414
    10  H   -0.072817   0.195830   0.064099   0.028250  -0.201191  -0.258418
    11  H    0.034302  -0.000051  -0.452370  -0.139192  -0.673146  -0.026042
    12  C    0.022374  -0.190915  -0.237104   0.223978  -3.177022   0.238860
    13  C    0.014891   0.137593   0.072564  -0.067113  -0.699596  -0.168408
    14  H    0.053400  -0.411238  -0.035374   0.059212  -1.100565  -0.490315
    15  H    0.027231   0.150506   0.137840   0.007382  -0.073107   0.085942
    16  H   -0.044496  -0.226937  -0.264065  -0.037824   0.325911  -0.058895
    17  H    0.010085   0.033886  -0.038349  -0.063768  -0.022088  -0.038761
    18  H    0.011247   0.005908  -0.001119   0.069099   0.166886   0.015576
    19  H   -0.004546  -0.009664   0.010891  -0.000464   0.371129   0.027173
    20  H    0.002457  -0.003145  -0.001220  -0.103961   0.658178  -0.116796
    21  H   -0.000705   0.005791  -0.003118   0.035425   0.182617   0.017104
    22  H    0.000268  -0.003293   0.001988   0.022633   0.162122   0.054889
    23  H    0.030723  -0.095262   0.086050  -0.055105  -0.049518  -0.067263
    24  H    0.151444  -0.040385  -0.073038   0.120080   0.134107  -0.007016
    25  H   -0.089750   0.035393   0.361600  -0.145499  -0.011817  -0.019968
    26  H   -0.018469   0.215198   0.008298   0.000124   0.003623  -0.042419
    27  H    0.003078   0.211306  -0.004633   0.004998  -0.009397   0.054555
    28  H    0.026799   0.149573   0.001813   0.003128   0.026523  -0.024814
               7          8          9         10         11         12
     1  C   -0.183168   0.031079  -0.031771  -0.072817   0.034302   0.022374
     2  C   -0.193016   0.180573  -0.009336   0.195830  -0.000051  -0.190915
     3  C   -0.203584  -0.168765   0.003909   0.064099  -0.452370  -0.237104
     4  C   -0.498777   0.002132  -0.008384   0.028250  -0.139192   0.223978
     5  C    0.156075   0.019617   0.102386  -0.201191  -0.673146  -3.177022
     6  C   -0.533899   0.038717  -0.006414  -0.258418  -0.026042   0.238860
     7  C    5.840968   0.056264  -0.014415   0.023811   0.101264   0.219542
     8  H    0.056264   2.380527  -0.008688  -0.193698   0.004765  -0.009278
     9  C   -0.014415  -0.008688   4.500266  -0.170632  -0.003119   0.004049
    10  H    0.023811  -0.193698  -0.170632   1.811370  -0.002295  -0.054037
    11  H    0.101264   0.004765  -0.003119  -0.002295   2.910394   0.290743
    12  C    0.219542  -0.009278   0.004049  -0.054037   0.290743   7.449373
    13  C   -0.166217   0.001277  -0.002951   0.025364  -0.170323  -0.746424
    14  H    0.071272  -0.000933  -0.114715   0.091319   0.064582   0.273842
    15  H   -0.369795  -0.005199   0.010189  -0.000527  -0.175163  -0.004221
    16  H    0.001500   0.027546  -0.018256  -0.013662   0.121944  -0.005359
    17  H    0.031898   0.002415   0.009675  -0.062638   0.025844   0.371259
    18  H   -0.014856  -0.000534  -0.000029   0.013381   0.026636  -0.132161
    19  H   -0.008211  -0.002989   0.000642  -0.016896  -0.005528  -0.231659
    20  H    0.011341  -0.000038   0.000554   0.000128  -0.038867  -0.005750
    21  H   -0.007252  -0.000047  -0.000561  -0.001102   0.008110   0.057388
    22  H   -0.007459  -0.000094  -0.000217   0.000625   0.023297   0.049562
    23  H   -0.010310  -0.631429  -0.027245   0.031862  -0.004248  -0.004568
    24  H   -0.005908   0.177991  -0.000539  -0.015144  -0.037242   0.000042
    25  H    0.018251  -0.239378   0.003241   0.033091  -0.058766  -0.038192
    26  H    0.003546  -0.019549   0.054802  -0.000817   0.000588   0.000791
    27  H   -0.000448   0.018994   0.058832   0.035526  -0.000066  -0.000957
    28  H   -0.002226   0.008383   0.155478  -0.047423  -0.000333  -0.003068
              13         14         15         16         17         18
     1  C    0.014891   0.053400   0.027231  -0.044496   0.010085   0.011247
     2  C    0.137593  -0.411238   0.150506  -0.226937   0.033886   0.005908
     3  C    0.072564  -0.035374   0.137840  -0.264065  -0.038349  -0.001119
     4  C   -0.067113   0.059212   0.007382  -0.037824  -0.063768   0.069099
     5  C   -0.699596  -1.100565  -0.073107   0.325911  -0.022088   0.166886
     6  C   -0.168408  -0.490315   0.085942  -0.058895  -0.038761   0.015576
     7  C   -0.166217   0.071272  -0.369795   0.001500   0.031898  -0.014856
     8  H    0.001277  -0.000933  -0.005199   0.027546   0.002415  -0.000534
     9  C   -0.002951  -0.114715   0.010189  -0.018256   0.009675  -0.000029
    10  H    0.025364   0.091319  -0.000527  -0.013662  -0.062638   0.013381
    11  H   -0.170323   0.064582  -0.175163   0.121944   0.025844   0.026636
    12  C   -0.746424   0.273842  -0.004221  -0.005359   0.371259  -0.132161
    13  C    6.242349  -0.137007  -0.019732  -0.007013   0.009547   0.017250
    14  H   -0.137007   3.711581  -0.220169   0.144820   0.022369   0.005713
    15  H   -0.019732  -0.220169   3.304964  -1.401382  -0.003236  -0.001761
    16  H   -0.007013   0.144820  -1.401382   3.025874   0.006145  -0.000570
    17  H    0.009547   0.022369  -0.003236   0.006145   1.151837  -0.109401
    18  H    0.017250   0.005713  -0.001761  -0.000570  -0.109401   1.016253
    19  H    0.001648   0.007759   0.000803  -0.001311  -0.150059  -0.091075
    20  H    0.036043  -0.043837   0.002119   0.004126  -0.003184  -0.000088
    21  H   -0.211253   0.026028   0.006465   0.001627   0.005404  -0.014831
    22  H   -0.194867   0.007632  -0.000216   0.002449   0.005530   0.008597
    23  H   -0.000176  -0.009749   0.014917  -0.047136   0.003372   0.000195
    24  H   -0.003056  -0.000620  -0.010203   0.024111  -0.000481  -0.000459
    25  H    0.001598  -0.003391   0.006017  -0.009150   0.028984  -0.011524
    26  H   -0.000149  -0.010010   0.015721  -0.043741   0.000017   0.000004
    27  H   -0.000018   0.027211  -0.002074   0.006982  -0.000116   0.000066
    28  H    0.000250  -0.094979  -0.000047   0.002571  -0.001304  -0.000108
              19         20         21         22         23         24
     1  C   -0.004546   0.002457  -0.000705   0.000268   0.030723   0.151444
     2  C   -0.009664  -0.003145   0.005791  -0.003293  -0.095262  -0.040385
     3  C    0.010891  -0.001220  -0.003118   0.001988   0.086050  -0.073038
     4  C   -0.000464  -0.103961   0.035425   0.022633  -0.055105   0.120080
     5  C    0.371129   0.658178   0.182617   0.162122  -0.049518   0.134107
     6  C    0.027173  -0.116796   0.017104   0.054889  -0.067263  -0.007016
     7  C   -0.008211   0.011341  -0.007252  -0.007459  -0.010310  -0.005908
     8  H   -0.002989  -0.000038  -0.000047  -0.000094  -0.631429   0.177991
     9  C    0.000642   0.000554  -0.000561  -0.000217  -0.027245  -0.000539
    10  H   -0.016896   0.000128  -0.001102   0.000625   0.031862  -0.015144
    11  H   -0.005528  -0.038867   0.008110   0.023297  -0.004248  -0.037242
    12  C   -0.231659  -0.005750   0.057388   0.049562  -0.004568   0.000042
    13  C    0.001648   0.036043  -0.211253  -0.194867  -0.000176  -0.003056
    14  H    0.007759  -0.043837   0.026028   0.007632  -0.009749  -0.000620
    15  H    0.000803   0.002119   0.006465  -0.000216   0.014917  -0.010203
    16  H   -0.001311   0.004126   0.001627   0.002449  -0.047136   0.024111
    17  H   -0.150059  -0.003184   0.005404   0.005530   0.003372  -0.000481
    18  H   -0.091075  -0.000088  -0.014831   0.008597   0.000195  -0.000459
    19  H    0.972583  -0.000904   0.005300  -0.016101   0.000955  -0.000145
    20  H   -0.000904   1.053657  -0.096927  -0.094505   0.000179   0.000144
    21  H    0.005300  -0.096927   0.908998  -0.054278  -0.000032  -0.000185
    22  H   -0.016101  -0.094505  -0.054278   0.915097   0.000020  -0.000967
    23  H    0.000955   0.000179  -0.000032   0.000020   1.728337  -0.234783
    24  H   -0.000145   0.000144  -0.000185  -0.000967  -0.234783   1.526813
    25  H    0.003625  -0.000033   0.000002  -0.000204   0.079467  -0.321842
    26  H    0.000114   0.000002  -0.000082  -0.000016   0.068254  -0.000214
    27  H   -0.000020   0.000008   0.000002   0.000004  -0.076197  -0.000130
    28  H   -0.000200  -0.000093  -0.000190   0.000006   0.005441   0.000005
              25         26         27         28
     1  C   -0.089750  -0.018469   0.003078   0.026799
     2  C    0.035393   0.215198   0.211306   0.149573
     3  C    0.361600   0.008298  -0.004633   0.001813
     4  C   -0.145499   0.000124   0.004998   0.003128
     5  C   -0.011817   0.003623  -0.009397   0.026523
     6  C   -0.019968  -0.042419   0.054555  -0.024814
     7  C    0.018251   0.003546  -0.000448  -0.002226
     8  H   -0.239378  -0.019549   0.018994   0.008383
     9  C    0.003241   0.054802   0.058832   0.155478
    10  H    0.033091  -0.000817   0.035526  -0.047423
    11  H   -0.058766   0.000588  -0.000066  -0.000333
    12  C   -0.038192   0.000791  -0.000957  -0.003068
    13  C    0.001598  -0.000149  -0.000018   0.000250
    14  H   -0.003391  -0.010010   0.027211  -0.094979
    15  H    0.006017   0.015721  -0.002074  -0.000047
    16  H   -0.009150  -0.043741   0.006982   0.002571
    17  H    0.028984   0.000017  -0.000116  -0.001304
    18  H   -0.011524   0.000004   0.000066  -0.000108
    19  H    0.003625   0.000114  -0.000020  -0.000200
    20  H   -0.000033   0.000002   0.000008  -0.000093
    21  H    0.000002  -0.000082   0.000002  -0.000190
    22  H   -0.000204  -0.000016   0.000004   0.000006
    23  H    0.079467   0.068254  -0.076197   0.005441
    24  H   -0.321842  -0.000214  -0.000130   0.000005
    25  H    1.216574   0.000203  -0.000700  -0.000233
    26  H    0.000203   0.959181  -0.055828  -0.081470
    27  H   -0.000700  -0.055828   0.982768  -0.114119
    28  H   -0.000233  -0.081470  -0.114119   0.985837
 Mulliken charges:
               1
     1  C    0.596746
     2  C   -1.086344
     3  C    1.189491
     4  C    0.037005
     5  C   -3.928991
     6  C    0.180915
     7  C    1.683811
     8  H   -0.669661
     9  C    1.513249
    10  H   -0.243360
    11  H   -0.825717
    12  C    1.638912
    13  C    2.033930
    14  H   -0.893839
    15  H   -0.483261
    16  H   -0.515810
    17  H   -0.224882
    18  H    0.021706
    19  H    0.137149
    20  H   -0.259590
    21  H    0.130301
    22  H    0.117501
    23  H    0.263249
    24  H   -0.382380
    25  H    0.162400
    26  H   -0.057701
    27  H   -0.139629
    28  H    0.004801
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.190335
     2  C   -1.329704
     3  C    0.969511
     4  C   -0.788712
     5  C   -3.928991
     6  C   -0.712925
     7  C    0.684740
     9  C    1.320720
    12  C    1.572884
    13  C    2.022142
 Electronic spatial extent (au):  <R**2>=           1435.3962
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0008    Y=              0.0840    Z=              0.0911  Tot=              0.1239
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -66.9654   YY=            -66.3472   ZZ=            -66.1238
   XY=             -0.2761   XZ=             -0.2397   YZ=             -0.1623
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.4866   YY=              0.1316   ZZ=              0.3550
   XY=             -0.2761   XZ=             -0.2397   YZ=             -0.1623
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              1.0058  YYY=             -1.1752  ZZZ=             -0.8121  XYY=              1.0887
  XXY=              3.5553  XXZ=             -0.0886  XZZ=             -1.3827  YZZ=              0.0202
  YYZ=              0.9055  XYZ=              0.2219
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1096.9958 YYYY=           -535.7333 ZZZZ=           -445.4147 XXXY=              2.2340
 XXXZ=             -0.8979 YYYX=             -0.4514 YYYZ=             -4.2283 ZZZX=             -5.2720
 ZZZY=              0.5635 XXYY=           -273.5817 XXZZ=           -250.6358 YYZZ=           -158.9342
 XXYZ=             -0.4537 YYXZ=              0.5200 ZZXY=             -4.2142
 N-N= 5.951190851388D+02 E-N=-2.093694464065D+03  KE= 3.867765038319D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:54:59 2021, MaxMem=  5637144576 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.35382624D-04 3.45650446D-02 3.94025167D-02
 Polarizability= 1.22105360D+02-1.24919004D-01 1.09054775D+02
                 6.28409595D-01-1.15229645D-01 1.05096169D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3054   -0.3063       -0.0139   -0.0171
 2      0.3054    0.3063        0.0306    0.0326       -6.8849   -6.8776
 3      0.0139    0.0171        8.9871    8.9819       -0.0299   -0.0326
 4     -0.0306   -0.0326       -0.0000    0.0000        0.0167    0.0171
 5     -2.1022   -2.1042       -0.0167   -0.0171       -0.3056   -0.3063
 6      0.0299    0.0326        0.3056    0.3063       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.9188    0.9188       -0.0512   -0.0512
 2     -0.0978   -0.0978        0.0000    0.0000       -0.0512   -0.0512
 3     -0.0978   -0.0978        0.9188    0.9188       -0.0000    0.0000
 4      0.9188    0.9188        0.0978    0.0978      -20.6329  -20.6329
 5      0.0512    0.0512       26.9456   26.9456       -0.0978   -0.0978
 6     -6.3126   -6.3126       -0.0512   -0.0512       -0.9188   -0.9188
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0575    0.0000        1.2014    1.2251        0.0407    0.0683
 2     -1.1778   -1.2251       -0.0998   -0.1304       27.5898   27.5106
 3     -0.1208   -0.0683      -35.9055  -35.9275        0.1258    0.1304
 4      0.0600    0.1304       -0.0236    0.0000       -0.0872   -0.0683
 5      8.4514    8.4169        0.0798    0.0683        1.1939    1.2251
 6     -0.1258   -0.1304       -1.2195   -1.2251       -0.0111    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0042    0.0000        6.8018    6.7119       -4.3145   -4.3076
 2     -6.5927   -6.7119        9.2986    9.3807        6.9430    6.9737
 3      4.2558    4.3076       -8.4484   -8.3895       -9.4960   -9.3807
 4     -9.3678   -9.3807       -0.0366    0.0000        4.2817    4.3076
 5      1.4598    1.4158       -4.2713   -4.3076        6.6345    6.7119
 6      9.3592    9.3807       -6.7843   -6.7119        0.0596    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.3017  -18.2928       26.2889   26.2944       14.1185   14.1071
 2    -27.1453  -27.1901       33.3024   33.2552       14.0554   14.1071
 3    -27.1162  -27.1901       26.3177   26.2944       15.2826   15.2544
 4     -6.8427   -6.9608        8.8926    8.8973       -5.8201   -5.8494
 5      1.0576    1.1473       -0.1574   -0.1800       -8.9113   -8.8973
 6      6.1592    6.0294       -0.9932   -1.1473        6.9730    6.9608
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.2126  -11.2057   -0.0006   -0.0002    0.0001    3.8994
 Low frequencies ---  126.9817  176.3350  201.2294
 Diagonal vibrational polarizability:
        1.2012686       1.1302383       1.1523327
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    126.9788               176.3320               201.2291
 Red. masses --      2.1940                 1.7878                 1.3296
 Frc consts  --      0.0208                 0.0328                 0.0317
 IR Inten    --      0.0066                 0.0218                 0.0116
 RamAct Fr= 1--      0.3148                 0.5619                 0.1484
  Dep-P Fr= 1--      0.6338                 0.7382                 0.7474
  Dep-U Fr= 1--      0.7759                 0.8494                 0.8554
 Alpha2 Fr= 1--      0.0007                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0407                 0.0795                 0.0212
 AlphaG Fr= 1--     -0.0017                 0.0008                 0.0000
 Gamma2 Fr= 1--     -0.1252                 0.0551                -0.0759
 Delta2 Fr= 1--      0.0635                -0.0603                -0.0310
 Raman1 Fr= 1--       1.259                  2.248                  0.593
 ROA1   Fr= 1--      -9.987                  3.362                 -8.277
 CID1   Fr= 1--      -7.931                  1.496                -13.947
 Raman2 Fr= 1--       0.489                  0.955                  0.254
 ROA2   Fr= 1--      -3.514                  1.805                 -1.573
 CID2   Fr= 1--      -7.192                  1.891                 -6.199
 Raman3 Fr= 1--       0.977                  1.909                  0.508
 ROA3   Fr= 1--      -9.987                  3.362                 -8.277
 CID3   Fr= 1--     -10.222                  1.761                -16.304
 RC180  Fr= 1--       0.552                  0.699                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.20    -0.05   0.00  -0.07     0.02  -0.02   0.02
     2   6     0.00  -0.05   0.02    -0.05   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.01  -0.02  -0.03    -0.00  -0.01   0.07     0.01  -0.00   0.00
     4   6    -0.02  -0.04  -0.04    -0.01  -0.01   0.04     0.02   0.01  -0.01
     5   6    -0.00   0.01  -0.00     0.02   0.00   0.02    -0.01   0.00  -0.02
     6   6     0.01  -0.03   0.04    -0.01   0.01   0.08    -0.00   0.01  -0.06
     7   6    -0.05  -0.06   0.02    -0.02  -0.02   0.06     0.02   0.04  -0.04
     8   1     0.31  -0.04   0.35    -0.18   0.03  -0.15     0.05  -0.03   0.05
     9   6    -0.01   0.05  -0.18    -0.01  -0.01  -0.10    -0.00  -0.02   0.06
    10   1    -0.07  -0.20   0.02    -0.13   0.06   0.02     0.07  -0.04  -0.03
    11   1    -0.04  -0.06  -0.08    -0.03  -0.00   0.02     0.03   0.03   0.01
    12   6    -0.01   0.10  -0.03     0.15   0.06  -0.01    -0.04   0.06  -0.03
    13   6     0.01   0.01   0.02    -0.03  -0.04  -0.05    -0.03  -0.06   0.06
    14   1     0.03  -0.03   0.06    -0.02   0.01   0.10     0.01   0.01  -0.09
    15   1    -0.08  -0.07  -0.00    -0.02  -0.03   0.06     0.02   0.04  -0.04
    16   1    -0.08  -0.07   0.06    -0.02  -0.04   0.06     0.03   0.07  -0.05
    17   1    -0.06   0.03  -0.04     0.05  -0.21   0.13    -0.15  -0.14   0.01
    18   1    -0.07   0.20  -0.08    -0.03   0.35  -0.19    -0.19   0.29  -0.09
    19   1     0.10   0.15   0.02     0.56   0.12  -0.03     0.22   0.12  -0.01
    20   1     0.00  -0.03   0.03    -0.05   0.04  -0.07     0.17   0.27  -0.05
    21   1     0.03   0.04   0.06    -0.08  -0.10  -0.12    -0.34  -0.28  -0.18
    22   1    -0.00   0.03  -0.01     0.01  -0.11  -0.00     0.06  -0.26   0.47
    23   1    -0.12   0.13   0.38     0.06  -0.04  -0.18    -0.01   0.01   0.05
    24   1    -0.09  -0.10  -0.09     0.07   0.08   0.14    -0.01  -0.01   0.00
    25   1     0.09   0.09  -0.14    -0.02  -0.12   0.15     0.01   0.01  -0.01
    26   1     0.07   0.23  -0.19     0.15  -0.09  -0.13    -0.13   0.04   0.09
    27   1    -0.03   0.01  -0.18    -0.08   0.03  -0.25     0.05  -0.08   0.19
    28   1    -0.08   0.00  -0.34    -0.04   0.01  -0.00     0.06  -0.04  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    214.0535               230.2849               260.6062
 Red. masses --      1.9155                 1.3070                 1.1319
 Frc consts  --      0.0517                 0.0408                 0.0453
 IR Inten    --      0.0129                 0.0275                 0.0123
 RamAct Fr= 1--      0.3622                 0.3573                 0.0776
  Dep-P Fr= 1--      0.7359                 0.6598                 0.3487
  Dep-U Fr= 1--      0.8479                 0.7950                 0.5171
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0007
 Beta2  Fr= 1--      0.0512                 0.0473                 0.0067
 AlphaG Fr= 1--      0.0008                 0.0056                 0.0003
 Gamma2 Fr= 1--     -0.0307                -0.0698                -0.0221
 Delta2 Fr= 1--      0.0080                -0.1007                 0.0120
 Raman1 Fr= 1--       1.449                  1.429                  0.310
 ROA1   Fr= 1--      -2.697                 -9.925                 -1.741
 CID1   Fr= 1--      -1.861                 -6.944                 -5.607
 Raman2 Fr= 1--       0.614                  0.568                  0.080
 ROA2   Fr= 1--      -0.802                 -0.870                 -0.628
 CID2   Fr= 1--      -1.305                 -1.532                 -7.819
 Raman3 Fr= 1--       1.228                  1.136                  0.161
 ROA3   Fr= 1--      -2.697                 -9.925                 -1.741
 CID3   Fr= 1--      -2.195                 -8.734                -10.845
 RC180  Fr= 1--       0.696                  0.590                  0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.02   0.02   0.01     0.03  -0.01   0.03
     2   6    -0.00   0.01   0.00     0.01   0.03   0.03     0.02  -0.02   0.00
     3   6     0.02  -0.02  -0.01    -0.03   0.02  -0.05     0.02   0.00   0.02
     4   6    -0.02  -0.05  -0.01    -0.01   0.01  -0.01     0.00   0.01  -0.01
     5   6    -0.00  -0.03   0.00     0.01   0.03   0.01    -0.01  -0.01  -0.02
     6   6     0.00  -0.06   0.02     0.01   0.03   0.06    -0.00  -0.00  -0.03
     7   6    -0.01  -0.08   0.01    -0.03  -0.02   0.03    -0.01   0.03  -0.02
     8   1    -0.00   0.02  -0.04     0.03   0.04   0.03     0.05  -0.03   0.06
     9   6    -0.06   0.09   0.02     0.07  -0.03  -0.05     0.01  -0.01   0.02
    10   1    -0.03   0.02   0.01    -0.03   0.04   0.04     0.04  -0.03  -0.01
    11   1    -0.01  -0.08  -0.03    -0.03   0.01  -0.04     0.01   0.00  -0.00
    12   6    -0.04  -0.09   0.03     0.02  -0.04   0.02    -0.05   0.02  -0.02
    13   6     0.10   0.17  -0.04    -0.03  -0.02  -0.03    -0.00  -0.01   0.02
    14   1    -0.02  -0.06   0.05     0.02   0.03   0.09    -0.00  -0.00  -0.07
    15   1    -0.00  -0.09   0.02    -0.05  -0.03   0.03    -0.02   0.04  -0.04
    16   1    -0.02  -0.11   0.01    -0.04  -0.03   0.06    -0.02   0.05  -0.01
    17   1    -0.14  -0.28   0.09     0.14   0.19  -0.03    -0.10  -0.04  -0.03
    18   1    -0.16   0.07   0.06     0.20  -0.30   0.11    -0.10   0.09  -0.02
    19   1     0.14  -0.11  -0.05    -0.29  -0.10   0.01     0.01   0.04  -0.01
    20   1     0.28   0.51  -0.15     0.09   0.32  -0.13    -0.01  -0.08   0.04
    21   1     0.11   0.00  -0.30    -0.27  -0.24  -0.28     0.02   0.03   0.07
    22   1     0.02   0.23   0.27     0.05  -0.20   0.31    -0.01   0.01  -0.03
    23   1     0.04  -0.00  -0.04    -0.05   0.01   0.05     0.01   0.01   0.05
    24   1     0.05   0.01   0.01    -0.05  -0.03  -0.10     0.01   0.01   0.04
    25   1     0.05  -0.06  -0.00    -0.04   0.09  -0.09     0.04  -0.01   0.02
    26   1    -0.04   0.05   0.02     0.23  -0.15  -0.09     0.31  -0.47  -0.06
    27   1    -0.03   0.22  -0.02    -0.02  -0.01  -0.22    -0.08   0.33  -0.40
    28   1    -0.18   0.10   0.09     0.06  -0.00   0.07    -0.20   0.10   0.52
                      7                      8                      9
                      A                      A                      A
 Frequencies --    302.5084               311.9920               384.4003
 Red. masses --      2.0979                 1.7307                 2.4166
 Frc consts  --      0.1131                 0.0993                 0.2104
 IR Inten    --      0.0053                 0.0033                 0.0539
 RamAct Fr= 1--      0.9909                 0.3046                 1.2837
  Dep-P Fr= 1--      0.2997                 0.1588                 0.5044
  Dep-U Fr= 1--      0.4612                 0.2741                 0.6706
 Alpha2 Fr= 1--      0.0102                 0.0046                 0.0062
 Beta2  Fr= 1--      0.0762                 0.0139                 0.1435
 AlphaG Fr= 1--     -0.0182                 0.0166                 0.0011
 Gamma2 Fr= 1--     -0.0897                -0.0628                 0.0967
 Delta2 Fr= 1--      0.0838                -0.1049                 0.0324
 Raman1 Fr= 1--       3.964                  1.219                  5.135
 ROA1   Fr= 1--      -5.932                 -9.391                 10.320
 CID1   Fr= 1--      -1.497                 -7.706                  2.010
 Raman2 Fr= 1--       0.914                  0.167                  1.722
 ROA2   Fr= 1--      -2.824                 -0.669                  2.062
 CID2   Fr= 1--      -3.090                 -4.005                  1.198
 Raman3 Fr= 1--       1.828                  0.334                  3.443
 ROA3   Fr= 1--      -5.932                 -9.391                 10.320
 CID3   Fr= 1--      -3.245                -28.118                  2.997
 RC180  Fr= 1--      -0.078                 -0.452                  0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02     0.03  -0.03  -0.03    -0.07   0.02   0.02
     2   6     0.02   0.08   0.03     0.01  -0.02   0.01     0.03   0.04   0.01
     3   6     0.09   0.04   0.01     0.07  -0.03   0.15    -0.10   0.02   0.01
     4   6    -0.01  -0.02  -0.04    -0.03  -0.01  -0.05    -0.10   0.04  -0.09
     5   6    -0.03  -0.01  -0.01     0.01   0.01  -0.05     0.03   0.04  -0.08
     6   6    -0.02   0.02   0.04     0.01  -0.02   0.00     0.02   0.03  -0.02
     7   6    -0.10  -0.02   0.02    -0.07  -0.03  -0.00    -0.06  -0.02  -0.04
     8   1     0.03   0.13  -0.04    -0.15  -0.02  -0.13    -0.08  -0.00   0.03
     9   6     0.16  -0.10  -0.02    -0.00   0.02  -0.02     0.04   0.06  -0.01
    10   1    -0.01   0.11   0.04    -0.00  -0.01   0.02     0.04   0.04   0.01
    11   1     0.00  -0.09  -0.10    -0.07  -0.02  -0.11    -0.18   0.09  -0.17
    12   6    -0.13  -0.06   0.01    -0.05   0.10  -0.06     0.08  -0.12  -0.05
    13   6    -0.02   0.01  -0.01     0.03   0.01   0.03     0.10  -0.05   0.19
    14   1    -0.07   0.02   0.08     0.03  -0.02   0.02     0.01   0.03   0.01
    15   1    -0.16  -0.04  -0.02    -0.08  -0.02  -0.02     0.00  -0.01  -0.00
    16   1    -0.13  -0.01   0.08    -0.10  -0.07   0.02    -0.08  -0.12  -0.06
    17   1    -0.27  -0.32   0.05     0.07   0.37  -0.20     0.08  -0.26   0.13
    18   1    -0.30   0.16   0.09     0.12  -0.15  -0.02     0.06  -0.10   0.00
    19   1     0.09  -0.08  -0.07    -0.38   0.11   0.04     0.20  -0.23  -0.23
    20   1    -0.07  -0.07   0.02     0.12   0.07   0.01     0.30  -0.24   0.23
    21   1     0.05   0.06   0.05    -0.05  -0.03  -0.00    -0.06   0.07   0.40
    22   1    -0.05   0.06  -0.10     0.03  -0.01   0.15     0.10  -0.06   0.27
    23   1     0.07   0.10  -0.04     0.18  -0.06  -0.17    -0.08  -0.02   0.03
    24   1     0.13   0.12   0.07     0.13   0.18   0.36    -0.11   0.09   0.09
    25   1     0.15  -0.06   0.04     0.14  -0.28   0.27    -0.04  -0.06   0.04
    26   1     0.15  -0.07  -0.02    -0.01   0.09  -0.02     0.06   0.08  -0.01
    27   1     0.06  -0.36   0.02     0.01   0.01   0.01     0.03   0.08  -0.03
    28   1     0.42  -0.10  -0.11    -0.03  -0.00  -0.09     0.00   0.05  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.0107               430.4381               451.9905
 Red. masses --      2.2832                 2.0798                 2.9778
 Frc consts  --      0.2046                 0.2270                 0.3584
 IR Inten    --      0.0136                 0.2588                 0.0651
 RamAct Fr= 1--      1.8958                 0.1138                 1.2405
  Dep-P Fr= 1--      0.1669                 0.6094                 0.7346
  Dep-U Fr= 1--      0.2861                 0.7573                 0.8470
 Alpha2 Fr= 1--      0.0281                 0.0003                 0.0003
 Beta2  Fr= 1--      0.0904                 0.0144                 0.1751
 AlphaG Fr= 1--      0.0039                 0.0002                -0.0015
 Gamma2 Fr= 1--      0.2061                 0.0385                -0.0895
 Delta2 Fr= 1--      0.1043                 0.0104                -0.0585
 Raman1 Fr= 1--       7.583                  0.455                  4.962
 ROA1   Fr= 1--      23.119                  4.026                -10.470
 CID1   Fr= 1--       3.049                  8.847                 -2.110
 Raman2 Fr= 1--       1.085                  0.172                  2.101
 ROA2   Fr= 1--       4.111                  0.840                 -1.681
 CID2   Fr= 1--       3.790                  4.873                 -0.800
 Raman3 Fr= 1--       2.169                  0.345                  4.203
 ROA3   Fr= 1--      23.119                  4.026                -10.470
 CID3   Fr= 1--      10.657                 11.682                 -2.491
 RC180  Fr= 1--      -0.428                  0.515                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09  -0.04    -0.02   0.06   0.08    -0.14   0.07   0.04
     2   6     0.13  -0.04   0.05    -0.03   0.04  -0.05    -0.01   0.11   0.05
     3   6    -0.07   0.02   0.00     0.00  -0.00   0.07    -0.11  -0.02   0.05
     4   6    -0.04   0.06  -0.01    -0.04   0.02  -0.06    -0.01  -0.03   0.10
     5   6     0.03   0.07  -0.00    -0.03   0.07  -0.01     0.08  -0.14  -0.05
     6   6     0.11  -0.01   0.04     0.01   0.02   0.01    -0.02  -0.00   0.01
     7   6     0.02  -0.03   0.03     0.18  -0.14  -0.06     0.07  -0.00   0.02
     8   1    -0.15  -0.09  -0.13     0.08   0.01   0.17    -0.13   0.07   0.05
     9   6     0.06   0.14  -0.01    -0.01  -0.03   0.02     0.07   0.05  -0.00
    10   1     0.10  -0.04   0.05    -0.01   0.01  -0.06    -0.01   0.12   0.05
    11   1    -0.08   0.08  -0.05    -0.06   0.07  -0.03    -0.04   0.07   0.15
    12   6    -0.11  -0.02   0.03    -0.01  -0.00   0.00    -0.10   0.03  -0.12
    13   6    -0.08  -0.06  -0.08    -0.08   0.01  -0.04     0.17  -0.10  -0.08
    14   1     0.19  -0.01   0.09     0.03   0.02   0.15    -0.20  -0.01  -0.00
    15   1     0.05   0.02   0.02     0.42  -0.17   0.18     0.19  -0.01   0.13
    16   1    -0.01  -0.13   0.04     0.26  -0.34  -0.33     0.14  -0.02  -0.12
    17   1    -0.24  -0.19   0.00     0.00  -0.03   0.06    -0.21   0.08  -0.40
    18   1    -0.22   0.11   0.19     0.01  -0.04   0.05    -0.17   0.13  -0.09
    19   1    -0.04  -0.06  -0.04    -0.02  -0.06  -0.08    -0.18   0.18   0.12
    20   1    -0.26  -0.11  -0.05    -0.11  -0.00  -0.03     0.22  -0.07  -0.09
    21   1    -0.17  -0.07  -0.06    -0.12   0.01  -0.04     0.23  -0.10  -0.10
    22   1     0.04  -0.21  -0.21    -0.04  -0.04  -0.07     0.12  -0.03  -0.04
    23   1     0.10  -0.26  -0.13    -0.08   0.18   0.13    -0.15   0.03   0.05
    24   1    -0.13   0.02   0.02     0.03   0.16   0.24    -0.03  -0.10  -0.06
    25   1    -0.09   0.02   0.01     0.12  -0.19   0.13    -0.17   0.08   0.02
    26   1     0.10   0.29  -0.00    -0.05  -0.13   0.02     0.14   0.08  -0.02
    27   1     0.13   0.27   0.00    -0.02  -0.04   0.02     0.01  -0.02  -0.05
    28   1    -0.14   0.10  -0.10     0.06   0.00   0.10     0.12   0.05  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.0596               526.2842               578.5710
 Red. masses --      3.0696                 2.5742                 3.0690
 Frc consts  --      0.4203                 0.4201                 0.6053
 IR Inten    --      0.3693                 0.2430                 0.7191
 RamAct Fr= 1--      3.6698                 1.3725                 1.7819
  Dep-P Fr= 1--      0.1561                 0.1578                 0.6687
  Dep-U Fr= 1--      0.2701                 0.2725                 0.8015
 Alpha2 Fr= 1--      0.0559                 0.0208                 0.0026
 Beta2  Fr= 1--      0.1652                 0.0623                 0.2380
 AlphaG Fr= 1--      0.0294                 0.0029                 0.0010
 Gamma2 Fr= 1--      0.2313                -0.2079                 0.1290
 Delta2 Fr= 1--      0.1342                -0.1408                 0.1201
 Raman1 Fr= 1--      14.679                  5.490                  7.127
 ROA1   Fr= 1--      26.505                -24.465                 16.229
 CID1   Fr= 1--       1.806                 -4.456                  2.277
 Raman2 Fr= 1--       1.982                  0.748                  2.856
 ROA2   Fr= 1--       4.478                 -3.863                  2.135
 CID2   Fr= 1--       2.259                 -5.164                  0.748
 Raman3 Fr= 1--       3.965                  1.496                  5.712
 ROA3   Fr= 1--      26.505                -24.465                 16.229
 CID3   Fr= 1--       6.685                -16.352                  2.841
 RC180  Fr= 1--      -0.460                 -0.455                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01     0.02  -0.09   0.03     0.12   0.02  -0.01
     2   6     0.13   0.04  -0.02    -0.04  -0.01   0.23    -0.01  -0.08   0.03
     3   6    -0.04   0.03   0.02     0.03  -0.11  -0.03     0.04   0.25   0.00
     4   6    -0.10  -0.06   0.10     0.09  -0.00  -0.05    -0.05   0.11   0.08
     5   6    -0.17  -0.12   0.05    -0.06   0.02  -0.05    -0.05  -0.03  -0.06
     6   6    -0.05  -0.10  -0.11    -0.12   0.10   0.03    -0.00  -0.10   0.05
     7   6     0.00  -0.04  -0.06     0.08   0.06  -0.05     0.03  -0.02   0.13
     8   1    -0.06  -0.06  -0.01    -0.13   0.14  -0.18    -0.09  -0.01  -0.11
     9   6     0.18   0.10  -0.00     0.02   0.01  -0.01    -0.08  -0.07  -0.01
    10   1     0.24   0.04  -0.05    -0.01  -0.06   0.21    -0.09  -0.09   0.04
    11   1     0.01  -0.11   0.20     0.12   0.04   0.04     0.01  -0.03   0.02
    12   6     0.06   0.02   0.00    -0.01  -0.03  -0.07    -0.01  -0.05  -0.17
    13   6    -0.12   0.07   0.05    -0.05   0.06   0.02    -0.01  -0.00   0.01
    14   1    -0.16  -0.11  -0.11    -0.11   0.10  -0.05     0.05  -0.10   0.03
    15   1     0.11   0.07  -0.04     0.13  -0.17   0.18     0.27   0.08   0.27
    16   1     0.03  -0.07  -0.13     0.24   0.15  -0.29     0.08  -0.23  -0.07
    17   1     0.23   0.20   0.12     0.03  -0.05   0.02    -0.00  -0.02  -0.18
    18   1     0.15  -0.05  -0.36     0.01  -0.05  -0.09    -0.01  -0.04  -0.24
    19   1     0.15   0.13   0.14     0.03  -0.08  -0.15     0.01  -0.02  -0.14
    20   1    -0.04   0.13   0.03     0.06   0.04   0.02     0.15  -0.08   0.03
    21   1    -0.01   0.05   0.00    -0.01   0.08   0.05    -0.07   0.05   0.11
    22   1    -0.21   0.18   0.12    -0.12   0.14   0.08    -0.04   0.03   0.11
    23   1     0.03  -0.06  -0.03     0.16  -0.30  -0.11     0.25  -0.07  -0.14
    24   1    -0.00   0.01  -0.02    -0.06  -0.13  -0.02    -0.08   0.07  -0.15
    25   1    -0.03   0.05   0.00     0.03  -0.06  -0.05    -0.01   0.45  -0.10
    26   1     0.24   0.13  -0.01     0.29   0.18  -0.05    -0.08  -0.07  -0.01
    27   1     0.15   0.08  -0.04    -0.12  -0.08  -0.17    -0.08  -0.09   0.00
    28   1     0.18   0.09  -0.04    -0.02  -0.03  -0.17    -0.07  -0.07  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    667.8785               786.9762               790.2816
 Red. masses --      2.6108                 2.1724                 1.8277
 Frc consts  --      0.6861                 0.7927                 0.6725
 IR Inten    --      0.1234                 0.8280                 0.4148
 RamAct Fr= 1--     14.5782                 5.4197                 6.4930
  Dep-P Fr= 1--      0.0095                 0.1121                 0.1347
  Dep-U Fr= 1--      0.0189                 0.2016                 0.2375
 Alpha2 Fr= 1--      0.3168                 0.0921                 0.1043
 Beta2  Fr= 1--      0.0459                 0.1821                 0.2570
 AlphaG Fr= 1--     -0.0028                 0.0039                -0.1741
 Gamma2 Fr= 1--      0.1749                 0.0554                -2.3261
 Delta2 Fr= 1--      0.0749                 0.0981                -1.6997
 Raman1 Fr= 1--      58.313                 21.679                 25.972
 ROA1   Fr= 1--      19.189                  8.459               -277.691
 CID1   Fr= 1--       0.329                  0.390                -10.692
 Raman2 Fr= 1--       0.551                  2.185                  3.084
 ROA2   Fr= 1--       3.599                  0.546                -42.228
 CID2   Fr= 1--       6.530                  0.250                -13.693
 Raman3 Fr= 1--       1.102                  4.369                  6.168
 ROA3   Fr= 1--      19.189                  8.459               -277.691
 CID3   Fr= 1--      17.410                  1.936                -45.022
 RC180  Fr= 1--      -0.962                 -0.597                 -0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01   0.04     0.06  -0.12  -0.07    -0.09   0.06  -0.05
     2   6    -0.01  -0.02   0.08     0.01  -0.01  -0.09     0.01  -0.07   0.11
     3   6    -0.00   0.12  -0.01    -0.02  -0.02  -0.04    -0.02   0.09  -0.08
     4   6    -0.10   0.03  -0.08    -0.01   0.08  -0.07     0.03   0.04  -0.08
     5   6     0.03  -0.04   0.05    -0.03  -0.04   0.01    -0.03  -0.06   0.02
     6   6    -0.09  -0.00  -0.09    -0.12   0.06   0.03     0.05  -0.08   0.02
     7   6    -0.03  -0.01  -0.09    -0.02   0.05   0.17     0.06   0.04  -0.01
     8   1    -0.19   0.09  -0.14     0.37  -0.23   0.15     0.20   0.08   0.09
     9   6    -0.04  -0.03  -0.00     0.07   0.04  -0.01    -0.02  -0.03   0.03
    10   1     0.07  -0.11   0.05    -0.04   0.04  -0.07     0.04   0.05   0.12
    11   1    -0.13  -0.01  -0.18    -0.05   0.01  -0.21     0.11  -0.05  -0.05
    12   6     0.03   0.05   0.21    -0.00  -0.00   0.02    -0.01  -0.02   0.01
    13   6     0.11  -0.07  -0.05     0.03  -0.03  -0.02    -0.01  -0.01   0.01
    14   1    -0.17  -0.01  -0.21    -0.20   0.06  -0.14     0.11  -0.08  -0.04
    15   1     0.16  -0.02   0.09     0.13  -0.13   0.45    -0.04   0.07  -0.12
    16   1     0.06  -0.13  -0.32     0.11  -0.05  -0.13     0.02   0.11   0.11
    17   1     0.01   0.07   0.15     0.01   0.03   0.01     0.03   0.05  -0.00
    18   1     0.01   0.08   0.19    -0.00   0.01  -0.05    -0.00  -0.00  -0.14
    19   1     0.03   0.10   0.30     0.01   0.04   0.08     0.03   0.06   0.11
    20   1     0.03  -0.02  -0.06     0.10   0.00  -0.03    -0.02   0.03  -0.01
    21   1     0.18  -0.12  -0.12     0.14  -0.03  -0.04     0.07  -0.03  -0.04
    22   1     0.13  -0.09  -0.11    -0.05   0.07   0.01    -0.05   0.05   0.00
    23   1     0.23  -0.17  -0.14    -0.18   0.06   0.17    -0.32   0.06   0.16
    24   1    -0.13   0.10   0.01    -0.05   0.15   0.16     0.16   0.44   0.24
    25   1     0.11   0.13  -0.08    -0.09  -0.21   0.11    -0.01  -0.34   0.18
    26   1     0.09   0.01  -0.03    -0.07  -0.03   0.02     0.18   0.17  -0.01
    27   1    -0.12  -0.11  -0.09     0.15   0.09   0.09    -0.08   0.01  -0.10
    28   1    -0.01  -0.05  -0.06     0.09   0.06   0.07    -0.21  -0.10  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    831.0843               862.9291               888.2313
 Red. masses --      2.2147                 2.3821                 2.1386
 Frc consts  --      0.9013                 1.0451                 0.9941
 IR Inten    --      0.5753                 0.6841                 0.7077
 RamAct Fr= 1--      2.3699                 8.9446                 3.8062
  Dep-P Fr= 1--      0.1472                 0.6525                 0.2992
  Dep-U Fr= 1--      0.2566                 0.7897                 0.4606
 Alpha2 Fr= 1--      0.0369                 0.0156                 0.0391
 Beta2  Fr= 1--      0.1014                 1.1772                 0.2922
 AlphaG Fr= 1--      0.0360                 0.1255                 0.0265
 Gamma2 Fr= 1--     -0.0061                 6.5633                -2.6056
 Delta2 Fr= 1--      0.1645                 3.0454                -0.8916
 Raman1 Fr= 1--       9.480                 35.778                 15.225
 ROA1   Fr= 1--       4.680                727.530               -278.673
 CID1   Fr= 1--       0.494                 20.334                -18.304
 Raman2 Fr= 1--       1.216                 14.127                  3.506
 ROA2   Fr= 1--      -1.463                133.155                -55.402
 CID2   Fr= 1--      -1.202                  9.426                -15.801
 Raman3 Fr= 1--       2.433                 28.254                  7.012
 ROA3   Fr= 1--       4.680                727.530               -278.673
 CID3   Fr= 1--       1.924                 25.750                -39.740
 RC180  Fr= 1--      -0.487                  0.579                 -0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05   0.07     0.11  -0.02   0.02    -0.12   0.09   0.08
     2   6     0.02  -0.00  -0.05    -0.03   0.07  -0.01     0.04  -0.04  -0.03
     3   6    -0.03   0.13   0.04    -0.04  -0.08  -0.01     0.05  -0.04  -0.01
     4   6     0.16   0.05  -0.08    -0.12   0.03  -0.07    -0.04  -0.06  -0.10
     5   6    -0.04  -0.08   0.03    -0.05  -0.11   0.04     0.05  -0.05   0.03
     6   6     0.01   0.13   0.02     0.12   0.03   0.14     0.05   0.03  -0.05
     7   6    -0.01  -0.11  -0.05     0.05   0.11  -0.08     0.04   0.07   0.15
     8   1    -0.29  -0.14   0.00     0.04   0.07  -0.07    -0.38   0.15  -0.09
     9   6     0.01   0.00  -0.02    -0.04   0.01  -0.03     0.02  -0.03  -0.02
    10   1     0.01  -0.12  -0.06    -0.20   0.05   0.02     0.05  -0.17  -0.04
    11   1     0.26  -0.00   0.01    -0.18   0.12  -0.07    -0.20  -0.10  -0.38
    12   6    -0.01  -0.03  -0.00    -0.02  -0.05  -0.00     0.01  -0.03  -0.02
    13   6    -0.01  -0.03   0.01    -0.01  -0.04   0.01    -0.07   0.03   0.04
    14   1    -0.01   0.13   0.14     0.17   0.03   0.35    -0.01   0.03  -0.28
    15   1    -0.30  -0.38  -0.11     0.09   0.33  -0.20     0.13   0.09   0.22
    16   1    -0.09  -0.03   0.15    -0.02   0.07   0.03     0.08   0.00   0.04
    17   1     0.03   0.05  -0.04     0.03   0.08  -0.06    -0.02  -0.00  -0.12
    18   1    -0.01   0.00  -0.19    -0.02   0.00  -0.27    -0.01   0.01  -0.05
    19   1     0.05   0.08   0.14     0.06   0.11   0.21     0.00   0.03   0.07
    20   1     0.03   0.10  -0.03     0.05   0.06  -0.02    -0.15   0.12   0.02
    21   1     0.24  -0.05  -0.07     0.22  -0.06  -0.06     0.04  -0.01  -0.05
    22   1    -0.17   0.18   0.03    -0.15   0.15   0.05    -0.10   0.08  -0.01
    23   1     0.06  -0.14  -0.05     0.18  -0.04  -0.05     0.11  -0.05  -0.15
    24   1    -0.20   0.09   0.07    -0.19  -0.06   0.06     0.08  -0.10  -0.09
    25   1    -0.05   0.18   0.02     0.09  -0.09  -0.08     0.23   0.02  -0.15
    26   1    -0.14  -0.06   0.01    -0.17  -0.16  -0.00    -0.14  -0.01   0.01
    27   1     0.12   0.10   0.08    -0.02  -0.08   0.07     0.17   0.17   0.08
    28   1    -0.03   0.02   0.07     0.15   0.06   0.11    -0.17  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    906.5927               931.4419               952.0107
 Red. masses --      2.1038                 2.0777                 1.5605
 Frc consts  --      1.0188                 1.0620                 0.8333
 IR Inten    --      0.3266                 0.2165                 0.9709
 RamAct Fr= 1--      1.2093                 4.5160                 4.2593
  Dep-P Fr= 1--      0.7392                 0.4418                 0.7109
  Dep-U Fr= 1--      0.8500                 0.6128                 0.8310
 Alpha2 Fr= 1--      0.0002                 0.0286                 0.0029
 Beta2  Fr= 1--      0.1713                 0.4612                 0.5899
 AlphaG Fr= 1--      0.0005                -0.0206                 0.0007
 Gamma2 Fr= 1--      0.1595                -4.2536                 0.2527
 Delta2 Fr= 1--     -0.1857                -2.4844                 0.2769
 Raman1 Fr= 1--       4.837                 18.064                 17.037
 ROA1   Fr= 1--       9.372               -487.845                 33.117
 CID1   Fr= 1--       1.937                -27.007                  1.944
 Raman2 Fr= 1--       2.056                  5.535                  7.079
 ROA2   Fr= 1--       5.314                -82.211                  3.848
 CID2   Fr= 1--       2.585                -14.853                  0.544
 Raman3 Fr= 1--       4.112                 11.070                 14.158
 ROA3   Fr= 1--       9.372               -487.845                 33.117
 CID3   Fr= 1--       2.279                -44.070                  2.339
 RC180  Fr= 1--       0.700                  0.226                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05    -0.07  -0.04   0.04     0.01   0.03   0.03
     2   6     0.07  -0.09   0.01    -0.03  -0.04  -0.04     0.01  -0.00  -0.00
     3   6     0.05   0.01  -0.02     0.02   0.10  -0.00    -0.01  -0.03  -0.03
     4   6    -0.07  -0.05   0.09    -0.00  -0.10  -0.04    -0.01  -0.00   0.01
     5   6    -0.04  -0.00   0.00    -0.03   0.04  -0.02    -0.09   0.05   0.04
     6   6     0.03   0.16   0.08    -0.08  -0.11   0.12     0.00   0.02  -0.03
     7   6    -0.10   0.02  -0.10     0.05   0.09  -0.05     0.02  -0.01   0.05
     8   1     0.11   0.01   0.04    -0.21  -0.19   0.05    -0.07   0.11  -0.06
     9   6     0.02  -0.07  -0.02     0.08   0.04  -0.02    -0.00  -0.00  -0.01
    10   1     0.01  -0.05   0.02    -0.21  -0.07  -0.00     0.05  -0.09  -0.02
    11   1     0.01  -0.06   0.20     0.07  -0.25  -0.09     0.02   0.02   0.08
    12   6    -0.01  -0.00   0.00     0.01   0.06   0.01    -0.11   0.03  -0.04
    13   6     0.02  -0.03  -0.02     0.03  -0.02  -0.03     0.11  -0.04   0.01
    14   1     0.17   0.16   0.17    -0.05  -0.12   0.28     0.03   0.02  -0.04
    15   1     0.16  -0.07   0.21     0.04   0.12  -0.09    -0.05  -0.03   0.01
    16   1     0.02  -0.10  -0.39     0.19   0.43  -0.12    -0.01  -0.00   0.12
    17   1     0.01   0.01   0.02    -0.01  -0.08   0.15     0.20   0.09   0.52
    18   1    -0.00  -0.01  -0.04     0.05  -0.04   0.23     0.11  -0.21  -0.36
    19   1     0.01   0.01   0.02    -0.06  -0.13  -0.25     0.15  -0.12  -0.33
    20   1     0.14  -0.04  -0.03     0.11  -0.05  -0.02    -0.17   0.07  -0.01
    21   1     0.07  -0.00   0.01     0.01   0.00   0.01     0.15  -0.16  -0.16
    22   1    -0.04   0.04   0.04     0.02  -0.01   0.02     0.21  -0.15  -0.19
    23   1    -0.12   0.07   0.04    -0.01  -0.05  -0.02     0.07  -0.06  -0.04
    24   1     0.28  -0.00  -0.11     0.01   0.10   0.01     0.01   0.03   0.02
    25   1     0.02  -0.01   0.01     0.12   0.05  -0.03     0.06  -0.10  -0.02
    26   1    -0.12   0.11   0.02    -0.12  -0.06   0.02    -0.05  -0.03  -0.00
    27   1     0.25   0.30   0.09     0.21   0.12   0.14     0.02   0.01   0.02
    28   1    -0.41  -0.12  -0.04     0.10   0.08   0.13    -0.00   0.00   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    966.3209               969.1494              1011.2833
 Red. masses --      1.5736                 1.6870                 1.5167
 Frc consts  --      0.8658                 0.9335                 0.9139
 IR Inten    --      1.5741                 0.5026                 0.0983
 RamAct Fr= 1--      1.9342                 1.9798                 1.3992
  Dep-P Fr= 1--      0.5781                 0.7495                 0.4548
  Dep-U Fr= 1--      0.7327                 0.8568                 0.6252
 Alpha2 Fr= 1--      0.0062                 0.0000                 0.0084
 Beta2  Fr= 1--      0.2362                 0.2827                 0.1458
 AlphaG Fr= 1--      0.0116                -0.0004                 0.0068
 Gamma2 Fr= 1--     -1.6351                 2.8754                -0.7629
 Delta2 Fr= 1--     -1.3011                 2.1029                 0.0473
 Raman1 Fr= 1--       7.737                  7.919                  5.597
 ROA1   Fr= 1--    -198.607                343.329                -71.723
 CID1   Fr= 1--     -25.670                 43.355                -12.815
 Raman2 Fr= 1--       2.834                  3.393                  1.750
 ROA2   Fr= 1--     -28.834                 52.187                -18.687
 CID2   Fr= 1--     -10.173                 15.383                -10.681
 Raman3 Fr= 1--       5.669                  6.785                  3.499
 ROA3   Fr= 1--    -198.607                343.329                -71.723
 CID3   Fr= 1--     -35.036                 50.601                -20.497
 RC180  Fr= 1--       0.465                  0.714                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.04  -0.03    -0.00   0.07   0.03     0.07   0.06  -0.02
     2   6    -0.04   0.01  -0.01     0.01  -0.02   0.00     0.06   0.01  -0.03
     3   6     0.09  -0.02   0.08    -0.01  -0.06  -0.03    -0.07  -0.01   0.03
     4   6     0.04   0.05  -0.05     0.02   0.05   0.01    -0.02  -0.03  -0.00
     5   6    -0.05  -0.00  -0.05    -0.09   0.01  -0.10    -0.01  -0.00   0.00
     6   6     0.04  -0.03  -0.00     0.01  -0.02  -0.01    -0.04   0.01  -0.00
     7   6    -0.02   0.02   0.01     0.03  -0.02   0.06     0.05  -0.01   0.02
     8   1    -0.00  -0.21   0.11    -0.09   0.23  -0.10     0.04   0.04  -0.02
     9   6     0.01   0.00   0.05     0.02  -0.00  -0.02    -0.03  -0.06   0.02
    10   1     0.07   0.27  -0.00    -0.02  -0.15  -0.01     0.22   0.07  -0.05
    11   1    -0.04   0.00  -0.23     0.06   0.13   0.16    -0.10   0.09  -0.01
    12   6    -0.04   0.02   0.05    -0.01   0.02   0.10     0.03   0.08  -0.02
    13   6    -0.00  -0.04  -0.02    -0.00  -0.03  -0.12    -0.04  -0.08   0.01
    14   1     0.16  -0.03   0.08     0.05  -0.02  -0.03    -0.07   0.02   0.06
    15   1     0.14   0.18   0.03    -0.09  -0.05  -0.01    -0.10  -0.03  -0.09
    16   1    -0.05  -0.18  -0.04    -0.05  -0.00   0.20     0.02   0.13   0.17
    17   1     0.09   0.06   0.26     0.03   0.06   0.13    -0.07  -0.15   0.05
    18   1     0.03  -0.05  -0.10    -0.00   0.03   0.02     0.03  -0.00   0.38
    19   1     0.08  -0.02  -0.03     0.02   0.06   0.14    -0.12  -0.16  -0.32
    20   1     0.14  -0.01  -0.04     0.56  -0.31  -0.06     0.13   0.12  -0.06
    21   1     0.12  -0.01  -0.02    -0.17   0.19   0.24     0.36  -0.07  -0.08
    22   1    -0.11   0.11   0.04    -0.12   0.07   0.24    -0.31   0.28   0.08
    23   1    -0.08   0.24  -0.00     0.09  -0.06  -0.06     0.08   0.05  -0.03
    24   1    -0.03  -0.32  -0.18     0.02   0.00   0.02    -0.09  -0.02   0.02
    25   1    -0.01   0.34  -0.09     0.06  -0.12  -0.03    -0.04   0.01   0.00
    26   1     0.25   0.18   0.01    -0.12  -0.06   0.00     0.09   0.12  -0.00
    27   1    -0.12  -0.03  -0.13     0.11   0.06   0.07    -0.04   0.04  -0.08
    28   1    -0.07  -0.05  -0.14    -0.00   0.02   0.07    -0.23  -0.12  -0.13
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1014.2616              1027.3514              1057.1050
 Red. masses --      1.9927                 1.4127                 2.1296
 Frc consts  --      1.2078                 0.8785                 1.4021
 IR Inten    --      0.4369                 0.7530                 1.7641
 RamAct Fr= 1--      6.3368                 0.5159                 0.9310
  Dep-P Fr= 1--      0.3849                 0.7112                 0.7320
  Dep-U Fr= 1--      0.5558                 0.8312                 0.8452
 Alpha2 Fr= 1--      0.0495                 0.0003                 0.0003
 Beta2  Fr= 1--      0.5870                 0.0715                 0.1312
 AlphaG Fr= 1--     -0.0609                 0.0041                 0.0000
 Gamma2 Fr= 1--      1.1059                 0.3789                -0.2292
 Delta2 Fr= 1--     -0.2023                 0.0225                 0.3868
 Raman1 Fr= 1--      25.347                  2.064                  3.724
 ROA1   Fr= 1--      99.696                 37.092                 -9.627
 CID1   Fr= 1--       3.933                 17.975                 -2.585
 Raman2 Fr= 1--       7.044                  0.858                  1.574
 ROA2   Fr= 1--      28.161                  8.913                 -8.596
 CID2   Fr= 1--       3.998                 10.393                 -5.462
 Raman3 Fr= 1--      14.088                  1.715                  3.148
 ROA3   Fr= 1--      99.696                 37.092                 -9.627
 CID3   Fr= 1--       7.076                 21.625                 -3.058
 RC180  Fr= 1--       0.112                  0.662                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.04    -0.04  -0.03   0.02     0.04   0.05  -0.02
     2   6     0.06   0.08  -0.04    -0.04  -0.02   0.03     0.13   0.07   0.03
     3   6     0.03   0.06  -0.05     0.03   0.02  -0.05    -0.10   0.01   0.07
     4   6    -0.07  -0.12   0.03     0.01   0.00   0.04     0.09  -0.11  -0.03
     5   6    -0.02   0.02   0.01    -0.01  -0.00   0.00     0.02  -0.03  -0.07
     6   6     0.02   0.12  -0.03     0.06   0.02  -0.05     0.09  -0.04   0.01
     7   6     0.05   0.00   0.06    -0.05   0.00   0.00    -0.07   0.05   0.01
     8   1    -0.13  -0.29   0.08    -0.01   0.05  -0.01     0.05   0.02   0.01
     9   6    -0.09  -0.01   0.03    -0.01   0.08  -0.01    -0.10  -0.01  -0.05
    10   1     0.33   0.09  -0.09    -0.09  -0.21   0.02    -0.01   0.12   0.06
    11   1     0.03  -0.35  -0.05     0.08  -0.10   0.05     0.07  -0.24  -0.19
    12   6    -0.01  -0.02  -0.00     0.02   0.05  -0.02    -0.04   0.03   0.04
    13   6     0.02   0.01  -0.06    -0.03  -0.06   0.01    -0.03   0.02  -0.01
    14   1    -0.04   0.12   0.14     0.20   0.03  -0.14     0.14  -0.04  -0.14
    15   1     0.03   0.14  -0.05     0.15   0.15   0.07     0.04  -0.22   0.31
    16   1     0.01   0.09   0.19    -0.11  -0.32  -0.05     0.17   0.20  -0.35
    17   1     0.00   0.02  -0.03    -0.05  -0.10   0.03     0.08   0.06   0.25
    18   1    -0.02   0.01  -0.06     0.03  -0.01   0.23     0.04  -0.06  -0.09
    19   1     0.01   0.03   0.06    -0.07  -0.10  -0.21     0.07  -0.02  -0.05
    20   1     0.21  -0.17  -0.01     0.08   0.10  -0.04     0.03  -0.03  -0.00
    21   1    -0.17   0.10   0.13     0.26  -0.06  -0.06    -0.09   0.05   0.04
    22   1     0.04  -0.05   0.10    -0.22   0.20   0.05    -0.04   0.02   0.03
    23   1    -0.02  -0.16   0.04    -0.09  -0.17   0.05    -0.04  -0.08   0.05
    24   1     0.08   0.17   0.04     0.18   0.10  -0.02    -0.10  -0.03   0.02
    25   1     0.16  -0.12  -0.01    -0.05  -0.11   0.07    -0.33   0.08   0.14
    26   1     0.16   0.04  -0.02    -0.04  -0.18  -0.01    -0.20  -0.20  -0.04
    27   1    -0.28  -0.18  -0.17    -0.11  -0.18   0.03    -0.12  -0.16   0.02
    28   1     0.02  -0.04  -0.12     0.36   0.15   0.12     0.09   0.03   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1075.7647              1103.1734              1110.7312
 Red. masses --      1.4522                 1.6305                 1.3373
 Frc consts  --      0.9902                 1.1691                 0.9721
 IR Inten    --      0.2279                 1.5978                 1.4193
 RamAct Fr= 1--      6.8968                 4.9751                 1.2702
  Dep-P Fr= 1--      0.5097                 0.4482                 0.5192
  Dep-U Fr= 1--      0.6752                 0.6190                 0.6836
 Alpha2 Fr= 1--      0.0325                 0.0307                 0.0057
 Beta2  Fr= 1--      0.7761                 0.5132                 0.1447
 AlphaG Fr= 1--      0.0147                -0.0296                 0.0372
 Gamma2 Fr= 1--     -0.2580                 1.8676                -2.8034
 Delta2 Fr= 1--      0.6414                 1.0073                -1.5410
 Raman1 Fr= 1--      27.587                 19.900                  5.081
 ROA1   Fr= 1--      -4.246                211.528               -318.433
 CID1   Fr= 1--      -0.154                 10.629                -62.673
 Raman2 Fr= 1--       9.313                  6.159                  1.737
 ROA2   Fr= 1--     -11.323                 36.765                -54.953
 CID2   Fr= 1--      -1.216                  5.969                -31.645
 Raman3 Fr= 1--      18.627                 12.318                  3.473
 ROA3   Fr= 1--      -4.246                211.528               -318.433
 CID3   Fr= 1--      -0.228                 17.172                -91.687
 RC180  Fr= 1--       0.350                  0.238                  0.367
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.03    -0.05  -0.01   0.06    -0.01   0.05   0.00
     2   6     0.07   0.09   0.02     0.10   0.04  -0.06     0.04  -0.06  -0.04
     3   6     0.03  -0.03  -0.03     0.04  -0.03  -0.07    -0.00  -0.02  -0.01
     4   6     0.06   0.06   0.01    -0.00   0.08  -0.01     0.04   0.03   0.03
     5   6     0.01  -0.03  -0.03     0.00  -0.02  -0.01     0.01   0.06  -0.01
     6   6    -0.04  -0.04   0.00     0.01  -0.09   0.06    -0.07  -0.02  -0.01
     7   6    -0.03  -0.00  -0.01    -0.06   0.05  -0.00    -0.03  -0.03   0.01
     8   1     0.02   0.14  -0.04    -0.26  -0.24   0.07    -0.02   0.10  -0.04
     9   6    -0.02  -0.06  -0.05    -0.06  -0.01   0.00    -0.02   0.04   0.02
    10   1     0.13  -0.04  -0.01     0.12   0.19  -0.04     0.28  -0.31  -0.12
    11   1     0.09  -0.09  -0.11     0.07   0.38   0.41    -0.21   0.11  -0.26
    12   6    -0.00   0.02   0.01     0.01   0.01  -0.00    -0.01  -0.05   0.01
    13   6    -0.00   0.02   0.01    -0.00  -0.00   0.02     0.00  -0.02   0.01
    14   1    -0.43  -0.05   0.34    -0.05  -0.09   0.02     0.19  -0.01   0.49
    15   1     0.22   0.44  -0.12    -0.07  -0.27   0.22     0.04   0.07   0.00
    16   1    -0.13  -0.28   0.02     0.03   0.01  -0.20     0.12   0.24  -0.11
    17   1     0.01  -0.01   0.07    -0.02  -0.03  -0.02     0.02   0.07  -0.09
    18   1     0.02  -0.01   0.06    -0.00   0.01   0.08    -0.04   0.03  -0.14
    19   1    -0.01  -0.03  -0.06    -0.03  -0.01  -0.02     0.05   0.08   0.17
    20   1    -0.08   0.01   0.02    -0.07   0.05   0.01    -0.01   0.06  -0.01
    21   1    -0.04  -0.01  -0.02     0.05  -0.04  -0.04     0.10  -0.03  -0.04
    22   1     0.03  -0.03  -0.02    -0.00   0.00  -0.04    -0.04   0.04  -0.02
    23   1    -0.06  -0.20   0.05     0.06  -0.05  -0.05    -0.02  -0.10   0.00
    24   1     0.03   0.02   0.02     0.13   0.05  -0.01     0.21  -0.01  -0.07
    25   1    -0.17  -0.05   0.10     0.35  -0.15  -0.16    -0.15  -0.02   0.08
    26   1    -0.22  -0.04  -0.01     0.04  -0.03  -0.02     0.12  -0.05  -0.01
    27   1     0.12   0.11   0.06    -0.15  -0.12  -0.07    -0.15  -0.14  -0.06
    28   1    -0.21  -0.06   0.02     0.03  -0.02  -0.06     0.17   0.05  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7536              1180.1803              1193.5164
 Red. masses --      1.5369                 2.0135                 1.9676
 Frc consts  --      1.1496                 1.6523                 1.6514
 IR Inten    --      0.2296                 0.9376                 2.6898
 RamAct Fr= 1--      4.7294                 3.2974                 7.8838
  Dep-P Fr= 1--      0.5906                 0.6660                 0.6106
  Dep-U Fr= 1--      0.7426                 0.7995                 0.7582
 Alpha2 Fr= 1--      0.0140                 0.0049                 0.0202
 Beta2  Fr= 1--      0.5853                 0.4394                 0.9963
 AlphaG Fr= 1--      0.0147                -0.0564                 0.0639
 Gamma2 Fr= 1--     -1.5826                -0.4848                 1.8448
 Delta2 Fr= 1--     -0.8625                -0.7387                 0.9549
 Raman1 Fr= 1--      18.918                 13.190                 31.535
 ROA1   Fr= 1--    -179.533                -70.175                207.659
 CID1   Fr= 1--      -9.490                 -5.320                  6.585
 Raman2 Fr= 1--       7.024                  5.273                 11.956
 ROA2   Fr= 1--     -31.083                 -5.725                 36.637
 CID2   Fr= 1--      -4.425                 -1.086                  3.064
 Raman3 Fr= 1--      14.048                 10.546                 23.911
 ROA3   Fr= 1--    -179.533                -70.175                207.659
 CID3   Fr= 1--     -12.780                 -6.654                  8.685
 RC180  Fr= 1--       0.485                  0.599                  0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.06     0.04  -0.06   0.08    -0.05  -0.02  -0.03
     2   6     0.06   0.02   0.09    -0.10   0.09  -0.01     0.07   0.06   0.09
     3   6     0.06   0.04   0.03    -0.01   0.02  -0.08     0.05  -0.03   0.04
     4   6    -0.06   0.01   0.02     0.03  -0.00   0.10    -0.04   0.02  -0.03
     5   6     0.04  -0.01  -0.04     0.09   0.07  -0.05    -0.11   0.12   0.02
     6   6    -0.02   0.02  -0.00     0.03  -0.04  -0.07    -0.03  -0.03  -0.09
     7   6     0.07  -0.04  -0.02    -0.05  -0.07   0.02    -0.00  -0.04   0.04
     8   1     0.08  -0.20   0.08    -0.11  -0.04  -0.01     0.11   0.06   0.01
     9   6    -0.03   0.01  -0.07     0.05  -0.05   0.00    -0.02  -0.02  -0.08
    10   1    -0.07  -0.02   0.11    -0.26   0.35   0.05     0.07   0.20   0.10
    11   1    -0.36   0.34  -0.10    -0.18   0.07  -0.15     0.23  -0.22   0.15
    12   6    -0.03   0.01   0.02    -0.04  -0.02   0.02     0.06  -0.05  -0.01
    13   6    -0.03  -0.01   0.01    -0.05  -0.05   0.01     0.04  -0.05   0.02
    14   1    -0.21   0.01  -0.13     0.19  -0.03  -0.06     0.36  -0.02   0.06
    15   1    -0.16  -0.15  -0.15     0.06   0.08  -0.00     0.01   0.04   0.00
    16   1     0.03   0.17   0.18     0.16   0.30  -0.16     0.11   0.23  -0.00
    17   1     0.05   0.05   0.13     0.07   0.11   0.07    -0.06  -0.02  -0.30
    18   1     0.02  -0.04  -0.09    -0.01  -0.02  -0.18    -0.10   0.15   0.08
    19   1     0.06   0.00  -0.01     0.10   0.05   0.08    -0.09   0.07   0.19
    20   1     0.01   0.04  -0.01     0.06   0.12  -0.04     0.01   0.07  -0.02
    21   1     0.04   0.00   0.01     0.18  -0.02  -0.01     0.21  -0.10  -0.10
    22   1    -0.08   0.07   0.02    -0.20   0.17   0.02     0.03  -0.00  -0.09
    23   1    -0.19  -0.07   0.10     0.14  -0.07  -0.02    -0.10   0.04   0.03
    24   1     0.38  -0.08  -0.21     0.06   0.19   0.07    -0.27  -0.11   0.07
    25   1     0.06   0.11  -0.01     0.05  -0.19   0.02     0.14   0.10  -0.09
    26   1    -0.23  -0.18  -0.03    -0.03   0.16   0.03    -0.27  -0.14  -0.03
    27   1     0.04  -0.05   0.11     0.16   0.20   0.01     0.10   0.02   0.10
    28   1     0.08   0.06   0.12    -0.22  -0.08  -0.01    -0.04   0.03   0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1227.7599              1233.1765              1240.2200
 Red. masses --      1.8132                 1.4208                 2.2432
 Frc consts  --      1.6104                 1.2730                 2.0329
 IR Inten    --      0.3166                 1.4882                 1.4598
 RamAct Fr= 1--      5.4338                 2.7401                 1.6905
  Dep-P Fr= 1--      0.7470                 0.6716                 0.2802
  Dep-U Fr= 1--      0.8552                 0.8036                 0.4377
 Alpha2 Fr= 1--      0.0003                 0.0038                 0.0184
 Beta2  Fr= 1--      0.7745                 0.3670                 0.1233
 AlphaG Fr= 1--      0.0020                -0.0185                -0.0197
 Gamma2 Fr= 1--      1.3519                -1.0744                -0.8026
 Delta2 Fr= 1--      0.1366                 0.1742                -0.1385
 Raman1 Fr= 1--      21.735                 10.960                  6.762
 ROA1   Fr= 1--     134.150                -97.568                -81.482
 CID1   Fr= 1--       6.172                 -8.902                -12.050
 Raman2 Fr= 1--       9.294                  4.404                  1.480
 ROA2   Fr= 1--      31.352                -27.178                -18.155
 CID2   Fr= 1--       3.373                 -6.172                -12.268
 Raman3 Fr= 1--      18.587                  8.807                  2.960
 ROA3   Fr= 1--     134.150                -97.568                -81.482
 CID3   Fr= 1--       7.217                -11.078                -27.530
 RC180  Fr= 1--       0.710                  0.607                 -0.125
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.02    -0.05  -0.04  -0.03    -0.02   0.01   0.04
     2   6     0.03  -0.05   0.01    -0.01  -0.02  -0.03     0.05   0.01  -0.03
     3   6    -0.06  -0.00   0.01     0.06   0.01   0.01     0.04  -0.04  -0.01
     4   6     0.01  -0.08  -0.04    -0.06   0.04  -0.00     0.03   0.05   0.02
     5   6     0.09   0.16  -0.06     0.09  -0.00   0.00    -0.04   0.12   0.23
     6   6    -0.05  -0.01   0.07     0.07   0.01   0.02     0.02  -0.05   0.08
     7   6     0.01   0.02  -0.00    -0.04  -0.06   0.01    -0.02  -0.01  -0.08
     8   1    -0.09  -0.21   0.07     0.23   0.38  -0.11    -0.04   0.07  -0.01
     9   6    -0.01   0.01  -0.00    -0.01   0.02   0.02    -0.01  -0.00   0.00
    10   1    -0.01  -0.01   0.02     0.11  -0.23  -0.07    -0.05   0.13   0.01
    11   1     0.26  -0.10   0.32     0.15  -0.07   0.21    -0.14  -0.08  -0.39
    12   6    -0.04  -0.07   0.03    -0.03   0.01  -0.00     0.00  -0.03  -0.06
    13   6    -0.03  -0.05   0.02    -0.03  -0.01  -0.01     0.01  -0.04  -0.08
    14   1    -0.32  -0.01  -0.23    -0.37  -0.01  -0.01    -0.29  -0.07  -0.51
    15   1     0.14   0.29  -0.09     0.03   0.04  -0.00    -0.03  -0.05  -0.08
    16   1    -0.14  -0.30   0.10     0.18   0.39  -0.15    -0.02   0.01  -0.09
    17   1     0.09   0.17  -0.04     0.03   0.03   0.10    -0.04  -0.02  -0.18
    18   1    -0.06   0.03  -0.24     0.04  -0.07  -0.07    -0.03   0.02  -0.15
    19   1     0.13   0.09   0.20     0.07  -0.02  -0.06    -0.05  -0.05  -0.09
    20   1     0.05   0.14  -0.04     0.05   0.02  -0.02     0.30  -0.14  -0.06
    21   1     0.19  -0.03  -0.02     0.03   0.03   0.04     0.05   0.10   0.12
    22   1    -0.15   0.14  -0.01    -0.10   0.08   0.06    -0.05   0.00   0.16
    23   1     0.05   0.12  -0.04    -0.10   0.02   0.02     0.01  -0.10  -0.00
    24   1     0.01   0.00  -0.01    -0.35  -0.02   0.14     0.05  -0.03  -0.01
    25   1     0.07  -0.03  -0.04     0.15   0.10  -0.09    -0.22   0.03   0.10
    26   1     0.01  -0.04  -0.01     0.07  -0.00   0.00     0.01  -0.01  -0.00
    27   1    -0.03  -0.05   0.00    -0.05  -0.04  -0.02    -0.04  -0.03  -0.02
    28   1     0.05   0.02  -0.00     0.05   0.01  -0.02    -0.01  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1252.6331              1268.4988              1301.0037
 Red. masses --      1.5828                 1.5510                 1.8904
 Frc consts  --      1.4633                 1.4704                 1.8852
 IR Inten    --      1.3783                 1.5234                 2.2020
 RamAct Fr= 1--      3.4476                 3.7411                 7.3433
  Dep-P Fr= 1--      0.3375                 0.5538                 0.4334
  Dep-U Fr= 1--      0.5047                 0.7129                 0.6047
 Alpha2 Fr= 1--      0.0315                 0.0140                 0.0481
 Beta2  Fr= 1--      0.2900                 0.4445                 0.7401
 AlphaG Fr= 1--      0.0960                 0.0202                -0.0188
 Gamma2 Fr= 1--     -0.2296                 0.3742                 1.1258
 Delta2 Fr= 1--     -0.8020                 0.7210                 0.3233
 Raman1 Fr= 1--      13.790                 14.964                 29.373
 ROA1   Fr= 1--     -47.705                 58.996                118.425
 CID1   Fr= 1--      -3.459                  3.942                  4.032
 Raman2 Fr= 1--       3.480                  5.334                  8.881
 ROA2   Fr= 1--       0.906                  3.213                 24.433
 CID2   Fr= 1--       0.260                  0.602                  2.751
 Raman3 Fr= 1--       6.960                 10.668                 17.763
 ROA3   Fr= 1--     -47.705                 58.996                118.425
 CID3   Fr= 1--      -6.854                  5.530                  6.667
 RC180  Fr= 1--       0.009                  0.426                  0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.05     0.03   0.04   0.01    -0.03  -0.00   0.02
     2   6     0.04  -0.05   0.07     0.00  -0.02  -0.00     0.05  -0.07  -0.01
     3   6    -0.04  -0.02  -0.03    -0.01  -0.02  -0.00    -0.00  -0.03  -0.05
     4   6     0.07   0.01   0.04     0.01   0.03  -0.05     0.01   0.07   0.15
     5   6     0.06  -0.05   0.09    -0.08  -0.04  -0.03    -0.08   0.00  -0.14
     6   6    -0.05   0.03  -0.04     0.03   0.06   0.05     0.03   0.03   0.06
     7   6    -0.04  -0.04  -0.00    -0.05  -0.14   0.04     0.03  -0.01  -0.05
     8   1    -0.10  -0.32   0.11    -0.15  -0.26   0.08    -0.01   0.05  -0.00
     9   6    -0.01   0.02  -0.04    -0.01   0.00   0.01    -0.02   0.03   0.00
    10   1     0.03   0.07   0.09    -0.06  -0.01   0.01    -0.05   0.14   0.04
    11   1    -0.11   0.12  -0.13     0.09   0.09   0.13    -0.09  -0.39  -0.47
    12   6    -0.03   0.03  -0.03     0.03   0.01   0.01     0.03  -0.00   0.03
    13   6    -0.02   0.02  -0.04     0.03   0.02   0.01     0.03  -0.01   0.05
    14   1     0.11   0.03   0.14    -0.07   0.06  -0.34    -0.29   0.02  -0.15
    15   1     0.14   0.27  -0.07     0.22   0.48  -0.17    -0.07  -0.16  -0.03
    16   1     0.00  -0.00  -0.06     0.19   0.42  -0.09    -0.02   0.02   0.06
    17   1     0.00  -0.02   0.07    -0.04  -0.06  -0.02     0.00  -0.00  -0.01
    18   1     0.04  -0.07  -0.03    -0.01   0.04   0.11    -0.04   0.08   0.09
    19   1     0.04  -0.05  -0.15    -0.08  -0.01   0.01    -0.06   0.03   0.09
    20   1     0.09  -0.10  -0.01    -0.09  -0.03   0.03    -0.16   0.10   0.02
    21   1    -0.09   0.09   0.09    -0.05  -0.04  -0.06    -0.00  -0.10  -0.10
    22   1    -0.02  -0.01   0.11     0.08  -0.05  -0.05     0.01   0.04  -0.13
    23   1     0.07   0.35  -0.09     0.05  -0.01  -0.02     0.18   0.34  -0.14
    24   1    -0.35   0.08   0.20     0.22  -0.03  -0.10    -0.18   0.05   0.11
    25   1     0.38  -0.08  -0.21    -0.19  -0.01   0.08     0.11  -0.11  -0.06
    26   1    -0.09  -0.11  -0.02     0.04   0.01   0.00     0.04  -0.07  -0.01
    27   1     0.02  -0.06   0.07    -0.02  -0.02  -0.00    -0.05  -0.07   0.02
    28   1     0.07   0.05   0.07     0.02   0.00  -0.01     0.09   0.03  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1323.1731              1332.6604              1350.7865
 Red. masses --      1.3851                 1.6423                 1.4411
 Frc consts  --      1.4288                 1.7184                 1.5492
 IR Inten    --      0.1637                 1.1869                 0.0926
 RamAct Fr= 1--      4.0697                 3.1931                 2.1184
  Dep-P Fr= 1--      0.6812                 0.5907                 0.6510
  Dep-U Fr= 1--      0.8103                 0.7427                 0.7886
 Alpha2 Fr= 1--      0.0049                 0.0095                 0.0038
 Beta2  Fr= 1--      0.5496                 0.3953                 0.2784
 AlphaG Fr= 1--      0.0037                 0.0133                 0.0001
 Gamma2 Fr= 1--      4.2202                -2.1818                -0.9832
 Delta2 Fr= 1--      2.5703                -1.0787                -0.7974
 Raman1 Fr= 1--      16.279                 12.772                  8.473
 ROA1   Fr= 1--     487.392               -243.973               -119.904
 CID1   Fr= 1--      29.940                -19.102                -14.151
 Raman2 Fr= 1--       6.596                  4.743                  3.341
 ROA2   Fr= 1--      80.722                -43.733                -17.218
 CID2   Fr= 1--      12.239                 -9.220                 -5.154
 Raman3 Fr= 1--      13.192                  9.486                  6.682
 ROA3   Fr= 1--     487.392               -243.973               -119.904
 CID3   Fr= 1--      36.947                -25.719                -17.944
 RC180  Fr= 1--       0.621                  0.485                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.01     0.01   0.00  -0.06    -0.01  -0.09   0.04
     2   6     0.02  -0.01  -0.06    -0.01   0.06  -0.00    -0.01  -0.08   0.00
     3   6     0.03   0.03   0.01    -0.04   0.03   0.04    -0.08   0.05   0.03
     4   6     0.03  -0.05   0.03     0.10  -0.08   0.03     0.05  -0.05  -0.04
     5   6     0.01  -0.03  -0.04    -0.12   0.05  -0.02    -0.04   0.01   0.03
     6   6    -0.10   0.01   0.10     0.08  -0.01  -0.01     0.03   0.01  -0.02
     7   6     0.01  -0.02  -0.02    -0.03   0.01   0.01    -0.02  -0.00   0.02
     8   1     0.13   0.31  -0.09     0.08  -0.03  -0.00     0.17   0.44  -0.16
     9   6    -0.01   0.00  -0.01     0.01  -0.01   0.03    -0.01   0.02  -0.03
    10   1     0.19   0.25  -0.06    -0.20  -0.42  -0.03     0.20   0.48   0.03
    11   1    -0.16   0.21  -0.01    -0.27   0.33  -0.11    -0.05   0.20   0.05
    12   6    -0.01  -0.00   0.00     0.04  -0.01   0.02     0.01  -0.01  -0.00
    13   6     0.01   0.01   0.01     0.03  -0.01   0.01     0.01   0.01  -0.01
    14   1     0.42   0.03  -0.40    -0.30  -0.02  -0.01    -0.21   0.00   0.12
    15   1     0.08   0.19  -0.11     0.08   0.06   0.08     0.07   0.09   0.03
    16   1    -0.06  -0.10   0.05    -0.02  -0.05  -0.05     0.01   0.00  -0.03
    17   1     0.03   0.02   0.05    -0.06  -0.03  -0.14    -0.00   0.00  -0.04
    18   1    -0.01   0.00   0.03    -0.02   0.07  -0.04    -0.03   0.04   0.02
    19   1     0.02   0.02   0.03    -0.10  -0.02   0.03    -0.03  -0.02  -0.02
    20   1    -0.07   0.02   0.01    -0.02   0.01   0.00     0.01  -0.04   0.00
    21   1    -0.06  -0.01  -0.00    -0.01  -0.05  -0.04    -0.01   0.00  -0.01
    22   1     0.02   0.00  -0.02     0.02   0.00  -0.07     0.02  -0.02   0.01
    23   1    -0.16  -0.34   0.09    -0.20  -0.20   0.11     0.15   0.27  -0.06
    24   1    -0.25   0.04   0.13    -0.11   0.03   0.06     0.37   0.03  -0.16
    25   1     0.13   0.04  -0.05     0.43   0.01  -0.20     0.16  -0.01  -0.06
    26   1     0.01  -0.03  -0.02     0.04   0.07   0.03    -0.01  -0.07  -0.03
    27   1     0.01   0.03   0.00    -0.05   0.00  -0.07     0.04  -0.01   0.08
    28   1     0.06   0.01  -0.03    -0.08  -0.04  -0.05     0.10   0.05   0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1359.4811              1376.3828              1391.6089
 Red. masses --      1.3066                 1.4115                 1.4558
 Frc consts  --      1.4228                 1.5754                 1.6611
 IR Inten    --      0.7444                 0.5669                 1.2329
 RamAct Fr= 1--      1.8094                 3.1201                 2.3946
  Dep-P Fr= 1--      0.6808                 0.6842                 0.4494
  Dep-U Fr= 1--      0.8101                 0.8125                 0.6201
 Alpha2 Fr= 1--      0.0022                 0.0036                 0.0147
 Beta2  Fr= 1--      0.2443                 0.4225                 0.2475
 AlphaG Fr= 1--      0.0023                -0.0140                 0.0379
 Gamma2 Fr= 1--      1.9239                -0.4995                 1.2384
 Delta2 Fr= 1--      0.2259                -0.4960                -0.1303
 Raman1 Fr= 1--       7.238                 12.480                  9.578
 ROA1   Fr= 1--     191.928                -63.824                114.719
 CID1   Fr= 1--      26.518                 -5.114                 11.977
 Raman2 Fr= 1--       2.932                  5.070                  2.970
 ROA2   Fr= 1--      44.368                 -8.020                 30.765
 CID2   Fr= 1--      15.134                 -1.582                 10.359
 Raman3 Fr= 1--       5.863                 10.140                  5.940
 ROA3   Fr= 1--     191.928                -63.824                114.719
 CID3   Fr= 1--      32.733                 -6.294                 19.313
 RC180  Fr= 1--       0.620                  0.625                  0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.00     0.03   0.00  -0.03    -0.05  -0.09   0.01
     2   6    -0.08   0.05   0.05    -0.07   0.04   0.01     0.10   0.10  -0.01
     3   6     0.04   0.02  -0.04    -0.10  -0.02   0.06    -0.04   0.02   0.00
     4   6     0.01  -0.05   0.00     0.01   0.09   0.02     0.00   0.01  -0.01
     5   6    -0.02   0.01  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.00
     6   6     0.04  -0.03   0.05    -0.00  -0.02   0.04    -0.07  -0.01   0.03
     7   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.01     0.00  -0.01  -0.00
     8   1    -0.05  -0.11   0.02     0.03  -0.05   0.00     0.14   0.19  -0.05
     9   6     0.02  -0.01  -0.04     0.01  -0.02  -0.02    -0.04  -0.04   0.03
    10   1     0.68  -0.26  -0.13     0.39  -0.14  -0.10    -0.31  -0.48  -0.01
    11   1    -0.14   0.20   0.03     0.20  -0.37  -0.18     0.03  -0.02   0.00
    12   6     0.00  -0.01  -0.00    -0.01  -0.00  -0.03    -0.00   0.01   0.01
    13   6     0.01  -0.01   0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.00
    14   1     0.01  -0.03  -0.17     0.12  -0.02  -0.16     0.30   0.00  -0.18
    15   1    -0.01  -0.05   0.04    -0.07  -0.03  -0.07     0.01   0.08  -0.07
    16   1    -0.00  -0.02  -0.03     0.03  -0.00  -0.09    -0.00  -0.02   0.00
    17   1     0.02   0.02  -0.02     0.05   0.01   0.09    -0.04  -0.02  -0.02
    18   1    -0.03   0.04   0.02    -0.00  -0.03   0.10     0.04  -0.04  -0.06
    19   1    -0.01   0.00   0.02     0.04   0.06   0.05     0.01  -0.02  -0.02
    20   1    -0.03   0.02  -0.00    -0.03   0.00  -0.00     0.06  -0.03   0.01
    21   1    -0.03  -0.01   0.01    -0.01   0.02   0.03     0.06   0.00  -0.02
    22   1    -0.02   0.03  -0.01    -0.02   0.01   0.05     0.05  -0.07  -0.01
    23   1     0.13   0.37  -0.09    -0.10  -0.16   0.07     0.22   0.49  -0.17
    24   1    -0.13   0.06   0.07     0.34  -0.07  -0.17     0.17   0.00  -0.09
    25   1    -0.25  -0.01   0.12     0.46  -0.06  -0.22     0.05  -0.04  -0.01
    26   1    -0.13   0.03  -0.01    -0.05   0.07  -0.00     0.12   0.12   0.00
    27   1     0.07   0.02   0.04     0.06   0.05   0.02     0.00   0.13  -0.05
    28   1    -0.03   0.03   0.12    -0.02   0.01   0.07     0.10  -0.04  -0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1404.2098              1411.5867              1422.4428
 Red. masses --      1.2616                 1.2346                 1.2177
 Frc consts  --      1.4656                 1.4494                 1.4516
 IR Inten    --      6.5069                 4.4366                 7.0671
 RamAct Fr= 1--      0.4366                 0.1921                 0.2208
  Dep-P Fr= 1--      0.1060                 0.5679                 0.0544
  Dep-U Fr= 1--      0.1917                 0.7244                 0.1032
 Alpha2 Fr= 1--      0.0075                 0.0007                 0.0043
 Beta2  Fr= 1--      0.0139                 0.0232                 0.0038
 AlphaG Fr= 1--      0.0093                 0.0001                -0.0021
 Gamma2 Fr= 1--      0.1069                -0.0904                 0.0029
 Delta2 Fr= 1--     -0.0137                 0.0359                 0.0105
 Raman1 Fr= 1--       1.746                  0.768                  0.883
 ROA1   Fr= 1--       9.824                 -7.532                  0.616
 CID1   Fr= 1--       5.626                 -9.804                  0.698
 Raman2 Fr= 1--       0.167                  0.278                  0.046
 ROA2   Fr= 1--       2.675                 -2.457                 -0.014
 CID2   Fr= 1--      15.981                 -8.831                 -0.313
 Raman3 Fr= 1--       0.335                  0.557                  0.091
 ROA3   Fr= 1--       9.824                 -7.532                  0.616
 CID3   Fr= 1--      29.345                -13.534                  6.761
 RC180  Fr= 1--      -0.617                  0.449                 -0.794
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.01   0.02  -0.01     0.00   0.00  -0.00
     2   6     0.03   0.01  -0.00    -0.00  -0.01   0.01    -0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00     0.01  -0.01  -0.00     0.01   0.01  -0.00
     4   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.01
     5   6    -0.01   0.01   0.03    -0.01   0.01   0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.01     0.02  -0.00  -0.02     0.02  -0.00   0.00
     7   6    -0.00   0.00   0.01    -0.00   0.01   0.00    -0.01  -0.00  -0.01
     8   1     0.03   0.03  -0.00    -0.05  -0.06   0.01    -0.02  -0.01  -0.00
     9   6     0.01   0.01   0.01    -0.11  -0.07  -0.03    -0.01  -0.00   0.00
    10   1    -0.15  -0.06   0.02     0.01   0.04   0.01    -0.02  -0.00   0.00
    11   1    -0.02   0.06   0.02    -0.01   0.02   0.00    -0.05   0.05  -0.02
    12   6    -0.01  -0.02  -0.10     0.00  -0.00  -0.01    -0.02  -0.02  -0.09
    13   6     0.08  -0.05  -0.03     0.02  -0.01  -0.01    -0.08   0.05   0.02
    14   1    -0.01  -0.00   0.01    -0.08  -0.01   0.05    -0.07  -0.00  -0.00
    15   1    -0.02   0.02  -0.02    -0.02  -0.02   0.01     0.06  -0.01   0.06
    16   1     0.02  -0.03  -0.05     0.00  -0.02  -0.02    -0.03   0.03   0.06
    17   1     0.19  -0.00   0.32     0.01  -0.00   0.02     0.17   0.00   0.29
    18   1    -0.05  -0.04   0.41    -0.01   0.01   0.03    -0.04  -0.06   0.39
    19   1     0.08   0.27   0.33    -0.01   0.02   0.03     0.11   0.25   0.30
    20   1    -0.32   0.14  -0.05    -0.06   0.04  -0.01     0.36  -0.15   0.05
    21   1    -0.32   0.06   0.20    -0.06   0.01   0.04     0.37  -0.04  -0.20
    22   1    -0.21   0.29   0.13    -0.05   0.07   0.02     0.23  -0.34  -0.11
    23   1     0.04   0.07  -0.03    -0.06  -0.07   0.04    -0.02  -0.00   0.01
    24   1    -0.01  -0.02  -0.03    -0.06  -0.01   0.03    -0.06  -0.01   0.01
    25   1    -0.04  -0.02   0.03    -0.02   0.01   0.01    -0.01  -0.02   0.02
    26   1    -0.04  -0.03   0.02     0.45   0.30  -0.11     0.04   0.01  -0.01
    27   1    -0.05  -0.04  -0.05     0.30   0.39   0.27     0.01   0.02   0.01
    28   1    -0.06  -0.02  -0.05     0.50   0.07   0.20     0.03   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1486.2610              1487.8690              1493.9979
 Red. masses --      1.0566                 1.0579                 1.0630
 Frc consts  --      1.3752                 1.3798                 1.3980
 IR Inten    --      1.2080                 0.9042                 3.9325
 RamAct Fr= 1--      1.7618                 8.3437                 2.3427
  Dep-P Fr= 1--      0.7241                 0.7500                 0.7439
  Dep-U Fr= 1--      0.8400                 0.8571                 0.8532
 Alpha2 Fr= 1--      0.0008                 0.0000                 0.0002
 Beta2  Fr= 1--      0.2466                 1.1919                 0.3331
 AlphaG Fr= 1--     -0.0045                -0.0003                -0.0027
 Gamma2 Fr= 1--      0.6935                -0.3866                -1.0269
 Delta2 Fr= 1--      0.4821                 0.4409                -0.0102
 Raman1 Fr= 1--       7.047                 33.375                  9.371
 ROA1   Fr= 1--      82.004                -23.001                -98.911
 CID1   Fr= 1--      11.636                 -0.689                -10.555
 Raman2 Fr= 1--       2.960                 14.303                  3.997
 ROA2   Fr= 1--      12.787                -12.805                -24.565
 CID2   Fr= 1--       4.320                 -0.895                 -6.145
 Raman3 Fr= 1--       5.920                 28.607                  7.995
 ROA3   Fr= 1--      82.004                -23.001                -98.911
 CID3   Fr= 1--      13.853                 -0.804                -12.372
 RC180  Fr= 1--       0.680                  0.714                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.03   0.01   0.00    -0.04   0.02   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6    -0.01  -0.02   0.00    -0.00  -0.03  -0.00    -0.01  -0.01  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01  -0.00
     5   6    -0.01   0.01   0.02    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.00  -0.02     0.01   0.00   0.02     0.00   0.00   0.02
     8   1    -0.02   0.01  -0.02     0.24  -0.06   0.17     0.35  -0.09   0.25
     9   6     0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.01   0.01
    10   1    -0.00  -0.00  -0.00    -0.02  -0.02   0.00     0.06   0.04   0.00
    11   1     0.01  -0.01  -0.01    -0.01   0.01   0.01    -0.01   0.02   0.00
    12   6    -0.04   0.01   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.00
    13   6     0.02   0.01   0.03     0.00   0.02  -0.02    -0.01  -0.02   0.01
    14   1     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.03   0.00   0.02
    15   1     0.12  -0.03   0.12    -0.10   0.00  -0.08    -0.10   0.02  -0.09
    16   1    -0.06   0.07   0.14     0.05  -0.05  -0.10     0.05  -0.05  -0.11
    17   1    -0.07   0.15  -0.28     0.20   0.33  -0.03    -0.13  -0.17  -0.03
    18   1     0.13  -0.25   0.20    -0.19   0.23   0.13     0.14  -0.19  -0.01
    19   1     0.47   0.03  -0.08     0.07  -0.11  -0.15     0.06   0.08   0.08
    20   1     0.14  -0.22   0.08    -0.23  -0.27   0.09     0.20   0.31  -0.10
    21   1    -0.29  -0.24  -0.27     0.18  -0.04  -0.14    -0.07   0.10   0.19
    22   1    -0.14   0.26  -0.22    -0.01  -0.03   0.35     0.07  -0.06  -0.29
    23   1    -0.02   0.02   0.02     0.18  -0.15  -0.19     0.27  -0.21  -0.28
    24   1     0.08   0.11   0.10     0.09   0.18   0.16     0.07   0.11   0.09
    25   1    -0.03   0.14  -0.08    -0.05   0.22  -0.12    -0.03   0.14  -0.08
    26   1    -0.02   0.03   0.01    -0.08   0.01   0.02    -0.14  -0.01   0.03
    27   1    -0.01   0.01  -0.03    -0.01   0.10  -0.10    -0.01   0.16  -0.14
    28   1     0.01   0.00   0.02     0.09  -0.01  -0.05     0.15  -0.01  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1498.6975              1499.0458              1505.3903
 Red. masses --      1.0529                 1.0533                 1.0693
 Frc consts  --      1.3934                 1.3946                 1.4277
 IR Inten    --      4.2601                 3.5160                 2.1380
 RamAct Fr= 1--      3.7865                 3.5800                13.3870
  Dep-P Fr= 1--      0.7495                 0.6815                 0.7495
  Dep-U Fr= 1--      0.8568                 0.8106                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0043                 0.0001
 Beta2  Fr= 1--      0.5407                 0.4836                 1.9117
 AlphaG Fr= 1--      0.0002                 0.0014                -0.0005
 Gamma2 Fr= 1--      2.7086                -1.5014                 2.4912
 Delta2 Fr= 1--      1.6034                -1.1547                -0.3211
 Raman1 Fr= 1--      15.146                 14.320                 53.548
 ROA1   Fr= 1--     311.339               -181.084                228.884
 CID1   Fr= 1--      20.556                -12.646                  4.274
 Raman2 Fr= 1--       6.489                  5.804                 22.940
 ROA2   Fr= 1--      52.180                -26.796                 62.358
 CID2   Fr= 1--       8.041                 -4.617                  2.718
 Raman3 Fr= 1--      12.978                 11.607                 45.880
 ROA3   Fr= 1--     311.339               -181.084                228.884
 CID3   Fr= 1--      23.990                -15.601                  4.989
 RC180  Fr= 1--       0.714                  0.621                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.01   0.00  -0.00
     2   6    -0.02   0.03  -0.00     0.02  -0.01  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01   0.02  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.01
     5   6    -0.01   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.02  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.01   0.00   0.00
     7   6     0.00   0.00   0.02     0.01   0.00   0.02     0.01   0.00   0.02
     8   1     0.09  -0.03   0.06     0.08   0.02   0.04    -0.09   0.01  -0.05
     9   6    -0.02   0.04  -0.01     0.02  -0.01  -0.04    -0.00  -0.00   0.01
    10   1     0.01  -0.05  -0.02    -0.08   0.01  -0.00     0.03   0.05   0.01
    11   1    -0.01   0.01  -0.00    -0.01   0.01   0.00    -0.02   0.01  -0.01
    12   6    -0.01   0.00   0.00    -0.01   0.01   0.00    -0.02   0.02   0.02
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.03
    14   1     0.02  -0.00  -0.02    -0.00   0.01   0.00    -0.04   0.00  -0.00
    15   1    -0.09   0.01  -0.08    -0.11   0.03  -0.11    -0.14   0.02  -0.13
    16   1     0.04  -0.06  -0.10     0.05  -0.07  -0.11     0.07  -0.08  -0.16
    17   1    -0.03   0.02  -0.08    -0.05  -0.02  -0.06    -0.20  -0.07  -0.26
    18   1     0.05  -0.09   0.05     0.06  -0.10   0.04     0.23  -0.35   0.09
    19   1     0.13   0.02  -0.01     0.10   0.03   0.02     0.36   0.09   0.03
    20   1    -0.02   0.02  -0.01    -0.03   0.03  -0.01    -0.25  -0.05   0.01
    21   1     0.04   0.02   0.02     0.07   0.04   0.04     0.26   0.09   0.06
    22   1     0.02  -0.03   0.03     0.04  -0.06   0.05     0.06  -0.14   0.34
    23   1     0.08  -0.04  -0.07     0.05  -0.05  -0.06    -0.07   0.05   0.07
    24   1     0.03   0.04   0.03     0.01   0.05   0.05    -0.11  -0.14  -0.12
    25   1    -0.01   0.04  -0.02    -0.02   0.06  -0.03     0.02  -0.19   0.12
    26   1     0.45  -0.43  -0.11     0.09   0.45  -0.02    -0.12  -0.03   0.03
    27   1     0.21  -0.17   0.51    -0.11  -0.44   0.11    -0.02   0.13  -0.13
    28   1    -0.32  -0.06  -0.22    -0.25   0.13   0.59     0.13  -0.02  -0.10
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1507.1191              1519.3962              1526.8140
 Red. masses --      1.0710                 1.0643                 1.0831
 Frc consts  --      1.4333                 1.4476                 1.4876
 IR Inten    --     10.2064                 7.2456                 6.8999
 RamAct Fr= 1--      2.6886                 2.0658                 3.6814
  Dep-P Fr= 1--      0.6696                 0.7355                 0.4551
  Dep-U Fr= 1--      0.8021                 0.8476                 0.6255
 Alpha2 Fr= 1--      0.0038                 0.0005                 0.0221
 Beta2  Fr= 1--      0.3594                 0.2918                 0.3838
 AlphaG Fr= 1--     -0.0098                -0.0059                 0.0008
 Gamma2 Fr= 1--     -2.9768                -1.7424                 2.1305
 Delta2 Fr= 1--     -0.6967                -0.7319                 0.9481
 Raman1 Fr= 1--      10.755                  8.263                 14.726
 ROA1   Fr= 1--    -308.066               -190.694                234.866
 CID1   Fr= 1--     -28.645                -23.077                 15.950
 Raman2 Fr= 1--       4.313                  3.502                  4.605
 ROA2   Fr= 1--     -65.870                -35.963                 43.546
 CID2   Fr= 1--     -15.272                -10.270                  9.455
 Raman3 Fr= 1--       8.626                  7.004                  9.211
 ROA3   Fr= 1--    -308.066               -190.694                234.866
 CID3   Fr= 1--     -35.714                -27.228                 25.499
 RC180  Fr= 1--       0.604                  0.695                  0.251
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.00     0.01   0.00  -0.00    -0.03   0.02   0.00
     2   6     0.01   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
     3   6    -0.00  -0.05  -0.00     0.01   0.03   0.00    -0.00   0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.01  -0.01
     5   6    -0.02  -0.02  -0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.00
     6   6    -0.00   0.00   0.00     0.00   0.01  -0.00     0.00  -0.01  -0.00
     7   6    -0.00  -0.00  -0.02     0.01   0.00   0.04    -0.02  -0.01  -0.05
     8   1    -0.22   0.05  -0.16    -0.06   0.02  -0.04     0.23  -0.05   0.16
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1    -0.02  -0.02   0.00    -0.04  -0.00   0.01     0.01  -0.01  -0.01
    11   1    -0.00  -0.01  -0.01    -0.01   0.01  -0.01     0.01   0.00  -0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.01
    13   6    -0.01  -0.03  -0.01    -0.01  -0.01   0.02     0.00  -0.01  -0.01
    14   1     0.02   0.00  -0.01    -0.00   0.01   0.01     0.01  -0.01   0.00
    15   1     0.11  -0.02   0.10    -0.23   0.05  -0.23     0.33  -0.05   0.31
    16   1    -0.05   0.06   0.12     0.12  -0.13  -0.27    -0.16   0.20   0.37
    17   1     0.06   0.17  -0.10     0.20   0.40  -0.12     0.05   0.19  -0.12
    18   1    -0.04   0.02   0.14    -0.18   0.20   0.19    -0.04   0.03   0.09
    19   1     0.17  -0.04  -0.09     0.18  -0.13  -0.22     0.16  -0.06  -0.12
    20   1    -0.06   0.37  -0.12     0.24   0.18  -0.06    -0.10   0.15  -0.05
    21   1     0.13   0.24   0.33    -0.13   0.02   0.08     0.06   0.12   0.16
    22   1     0.13  -0.20   0.01     0.04  -0.01  -0.30     0.04  -0.08   0.07
    23   1    -0.17   0.14   0.18    -0.05   0.03   0.05     0.17  -0.15  -0.19
    24   1     0.16   0.25   0.23    -0.11  -0.18  -0.16    -0.11  -0.21  -0.20
    25   1    -0.06   0.33  -0.18     0.04  -0.23   0.13     0.07  -0.28   0.15
    26   1    -0.01  -0.01   0.01    -0.02   0.01   0.01     0.04   0.04  -0.01
    27   1    -0.01   0.02  -0.02    -0.02   0.01  -0.03     0.01  -0.04   0.05
    28   1     0.01  -0.01  -0.03     0.02  -0.00  -0.00    -0.04   0.01   0.06
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3019.8670              3021.3210              3023.7470
 Red. masses --      1.0377                 1.0427                 1.0744
 Frc consts  --      5.5759                 5.6082                 5.7875
 IR Inten    --     22.2771                12.9046                 9.5695
 RamAct Fr= 1--    145.6093                 2.7787                64.1439
  Dep-P Fr= 1--      0.0183                 0.7467                 0.5818
  Dep-U Fr= 1--      0.0359                 0.8550                 0.7356
 Alpha2 Fr= 1--      3.1004                 0.0002                 0.2021
 Beta2  Fr= 1--      0.8700                 0.3959                 7.8640
 AlphaG Fr= 1--      0.0359                -0.0029                -0.2451
 Gamma2 Fr= 1--     -1.3236                 4.0993               -15.0280
 Delta2 Fr= 1--     -0.4828                 2.2819               -12.9946
 Raman1 Fr= 1--     582.437                 11.115                256.576
 ROA1   Fr= 1--    -142.511                466.556              -1858.520
 CID1   Fr= 1--      -0.245                 41.976                 -7.244
 Raman2 Fr= 1--      10.440                  4.751                 94.369
 ROA2   Fr= 1--     -27.903                 80.128               -256.716
 CID2   Fr= 1--      -2.673                 16.864                 -2.720
 Raman3 Fr= 1--      20.881                  9.503                188.737
 ROA3   Fr= 1--    -142.511                466.556              -1858.520
 CID3   Fr= 1--      -6.825                 49.097                 -9.847
 RC180  Fr= 1--      -0.928                  0.710                  0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.00   0.00   0.01     0.01   0.00   0.02
     2   6     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.01   0.01  -0.06
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.03   0.03   0.07     0.02  -0.02  -0.04     0.03  -0.03  -0.04
     9   6    -0.04  -0.02  -0.02    -0.01  -0.00   0.00    -0.01  -0.01   0.01
    10   1    -0.04   0.02  -0.19     0.05  -0.03   0.26     0.14  -0.10   0.79
    11   1     0.01   0.01  -0.00    -0.01  -0.01   0.01     0.05   0.03  -0.03
    12   6    -0.00  -0.00  -0.00     0.02  -0.00   0.03    -0.01   0.00   0.00
    13   6     0.00  -0.00   0.00    -0.03   0.01  -0.01     0.02  -0.01   0.00
    14   1     0.00  -0.12   0.00    -0.00   0.05  -0.00    -0.00   0.13  -0.00
    15   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.01
    16   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.02  -0.01   0.01
    17   1    -0.02   0.01   0.01     0.18  -0.11  -0.07     0.03  -0.02  -0.01
    18   1     0.04   0.03   0.00    -0.36  -0.26  -0.04     0.03   0.02   0.00
    19   1     0.01  -0.04   0.02    -0.06   0.37  -0.24     0.00  -0.01   0.01
    20   1     0.00   0.00   0.01    -0.02  -0.06  -0.23     0.01   0.04   0.14
    21   1    -0.00   0.01  -0.01     0.05  -0.36   0.25    -0.03   0.21  -0.15
    22   1    -0.01  -0.01  -0.00     0.35   0.27   0.05    -0.22  -0.16  -0.03
    23   1    -0.03   0.00  -0.04    -0.04   0.00  -0.05    -0.18   0.02  -0.20
    24   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.05  -0.12   0.11
    25   1    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.01  -0.01  -0.02
    26   1     0.10  -0.03   0.63     0.01  -0.00   0.04    -0.00  -0.00  -0.01
    27   1     0.41  -0.20  -0.26     0.08  -0.04  -0.05     0.14  -0.07  -0.08
    28   1    -0.06   0.48  -0.14    -0.01   0.09  -0.02    -0.02   0.15  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3026.9132              3027.8711              3038.4451
 Red. masses --      1.0530                 1.0566                 1.0767
 Frc consts  --      5.6843                 5.7074                 5.8566
 IR Inten    --     26.0919                45.8577                82.6128
 RamAct Fr= 1--    121.9526               192.8469                45.5526
  Dep-P Fr= 1--      0.1535                 0.1294                 0.4295
  Dep-U Fr= 1--      0.2661                 0.2292                 0.6009
 Alpha2 Fr= 1--      1.8686                 3.1397                 0.3026
 Beta2  Fr= 1--      5.4092                 7.3660                 4.5621
 AlphaG Fr= 1--      0.4209                -0.2239                 0.3587
 Gamma2 Fr= 1--     19.6536                 0.1812                 5.1409
 Delta2 Fr= 1--      7.5280                 6.4653                 5.2238
 Raman1 Fr= 1--     487.810                771.388                182.210
 ROA1   Fr= 1--    2127.638                224.289                660.688
 CID1   Fr= 1--       4.362                  0.291                  3.626
 Raman2 Fr= 1--      64.910                 88.392                 54.746
 ROA2   Fr= 1--     411.462                -47.373                 81.591
 CID2   Fr= 1--       6.339                 -0.536                  1.490
 Raman3 Fr= 1--     129.821                176.785                109.491
 ROA3   Fr= 1--    2127.638                224.289                660.688
 CID3   Fr= 1--      16.389                  1.269                  6.034
 RC180  Fr= 1--      -0.468                 -0.542                  0.202
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.02  -0.01  -0.00     0.03  -0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.02
     3   6     0.00  -0.04   0.01    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
     4   6     0.01   0.01  -0.01    -0.02  -0.01   0.01     0.01   0.01  -0.01
     5   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.01  -0.00    -0.00   0.02   0.00     0.00  -0.06   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.08  -0.09  -0.17    -0.08   0.09   0.16    -0.12   0.13   0.25
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    10   1     0.00  -0.00   0.01    -0.05   0.03  -0.26    -0.04   0.03  -0.22
    11   1    -0.11  -0.08   0.07     0.19   0.13  -0.12    -0.09  -0.07   0.06
    12   6     0.01   0.00   0.02     0.02  -0.00   0.02     0.00   0.00   0.01
    13   6     0.02  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.00   0.00
    14   1     0.01  -0.13   0.00     0.01  -0.20   0.00    -0.03   0.76   0.00
    15   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.04  -0.03  -0.04
    16   1    -0.04   0.01  -0.02     0.01  -0.00   0.01    -0.02   0.01  -0.01
    17   1     0.13  -0.08  -0.06     0.12  -0.08  -0.05     0.03  -0.02  -0.01
    18   1    -0.24  -0.18  -0.03    -0.32  -0.23  -0.03    -0.07  -0.05  -0.01
    19   1    -0.04   0.25  -0.16    -0.05   0.32  -0.21    -0.01   0.06  -0.04
    20   1     0.01   0.05   0.17     0.01   0.04   0.14     0.00   0.01   0.05
    21   1    -0.04   0.26  -0.18    -0.03   0.20  -0.14    -0.01   0.06  -0.04
    22   1    -0.24  -0.18  -0.03    -0.20  -0.15  -0.03    -0.07  -0.05  -0.01
    23   1     0.19  -0.02   0.22    -0.12   0.01  -0.14    -0.25   0.02  -0.29
    24   1    -0.14   0.37  -0.37     0.12  -0.31   0.31    -0.04   0.11  -0.11
    25   1     0.13   0.13   0.24    -0.10  -0.10  -0.19     0.08   0.09   0.16
    26   1     0.01  -0.00   0.04    -0.00   0.00  -0.02     0.01  -0.00   0.07
    27   1     0.02  -0.01  -0.01    -0.06   0.03   0.04     0.02  -0.00  -0.01
    28   1    -0.01   0.05  -0.01     0.01  -0.08   0.02     0.01  -0.06   0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3039.7185              3050.1306              3055.0251
 Red. masses --      1.0732                 1.0805                 1.0976
 Frc consts  --      5.8424                 5.9226                 6.0356
 IR Inten    --     34.6523                70.2164                17.8729
 RamAct Fr= 1--    191.7429               215.4365               115.1943
  Dep-P Fr= 1--      0.1007                 0.1354                 0.2330
  Dep-U Fr= 1--      0.1829                 0.2384                 0.3780
 Alpha2 Fr= 1--      3.3515                 3.4557                 1.4310
 Beta2  Fr= 1--      5.8465                 8.5617                 7.2571
 AlphaG Fr= 1--      0.0191                -0.7990                 0.1384
 Gamma2 Fr= 1--     -7.4491               -18.4022                -4.6148
 Delta2 Fr= 1--      2.7242                -8.8002                -7.1571
 Raman1 Fr= 1--     766.972                861.746                460.777
 ROA1   Fr= 1--    -627.938              -2048.215               -672.045
 CID1   Fr= 1--      -0.819                 -2.377                 -1.459
 Raman2 Fr= 1--      70.158                102.740                 87.085
 ROA2   Fr= 1--    -200.572               -371.251                -53.498
 CID2   Fr= 1--      -2.859                 -3.614                 -0.614
 Raman3 Fr= 1--     140.317                205.480                174.169
 ROA3   Fr= 1--    -627.938              -2048.215               -672.045
 CID3   Fr= 1--      -4.475                 -9.968                 -3.859
 RC180  Fr= 1--      -0.634                 -0.523                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.02     0.01   0.00   0.02     0.01  -0.02  -0.04
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   6     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.03  -0.01   0.06
     4   6    -0.02  -0.01   0.01    -0.05  -0.03   0.03    -0.01  -0.01   0.01
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
     8   1     0.10  -0.12  -0.23     0.04  -0.05  -0.08    -0.24   0.26   0.47
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.01
    10   1    -0.00   0.00  -0.02    -0.01   0.01  -0.05     0.03  -0.02   0.15
    11   1     0.26   0.18  -0.17     0.60   0.40  -0.38     0.15   0.10  -0.10
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.54   0.00    -0.00  -0.05   0.00     0.00  -0.06  -0.00
    15   1     0.04  -0.03  -0.03    -0.08   0.06   0.08    -0.03   0.02   0.03
    16   1    -0.11   0.03  -0.06     0.16  -0.05   0.08     0.04  -0.01   0.02
    17   1     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.03   0.02   0.01
    18   1    -0.03  -0.02  -0.00     0.04   0.03   0.00     0.02   0.01   0.00
    19   1    -0.01   0.04  -0.03     0.01  -0.05   0.04    -0.00   0.03  -0.02
    20   1     0.00   0.01   0.02    -0.00  -0.01  -0.03     0.00  -0.00  -0.01
    21   1    -0.00   0.01  -0.00     0.01  -0.05   0.03     0.00  -0.02   0.02
    22   1    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.01  -0.00
    23   1     0.39  -0.04   0.44    -0.13   0.01  -0.14     0.06  -0.01   0.06
    24   1     0.04  -0.10   0.11    -0.06   0.15  -0.15    -0.13   0.37  -0.34
    25   1    -0.12  -0.13  -0.23     0.17   0.19   0.32    -0.22  -0.25  -0.41
    26   1     0.01  -0.00   0.08    -0.00  -0.00  -0.00    -0.02   0.00  -0.09
    27   1     0.05  -0.02  -0.03    -0.01   0.00   0.00     0.03  -0.02  -0.02
    28   1    -0.00   0.05  -0.01     0.00  -0.02   0.01    -0.01   0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3070.0185              3070.9889              3075.4809
 Red. masses --      1.1009                 1.0745                 1.0966
 Frc consts  --      6.1135                 5.9703                 6.1112
 IR Inten    --      0.3110                 6.0774                33.4201
 RamAct Fr= 1--     17.8955               255.1651                86.8584
  Dep-P Fr= 1--      0.5426                 0.0310                 0.3816
  Dep-U Fr= 1--      0.7035                 0.0601                 0.5524
 Alpha2 Fr= 1--      0.0713                 5.2728                 0.6862
 Beta2  Fr= 1--      2.0983                 2.5557                 7.9971
 AlphaG Fr= 1--     -0.1447                -0.7148                 0.2711
 Gamma2 Fr= 1--      5.5066                14.6171               -56.2066
 Delta2 Fr= 1--      1.0658                 7.5841               -35.0994
 Raman1 Fr= 1--      71.582               1020.660                347.434
 ROA1   Fr= 1--     562.734               1645.934              -6519.015
 CID1   Fr= 1--       7.861                  1.613                -18.763
 Raman2 Fr= 1--      25.179                 30.669                 95.965
 ROA2   Fr= 1--     123.631                290.138              -1068.163
 CID2   Fr= 1--       4.910                  9.460                -11.131
 Raman3 Fr= 1--      50.359                 61.337                191.929
 ROA3   Fr= 1--     562.734               1645.934              -6519.015
 CID3   Fr= 1--      11.175                 26.834                -33.966
 RC180  Fr= 1--       0.407                 -0.880                  0.105
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01    -0.01   0.01   0.03     0.01   0.01   0.05
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.01   0.02     0.02  -0.00   0.04
     4   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.04   0.00  -0.05     0.02  -0.00   0.02
     8   1     0.04  -0.04  -0.07     0.13  -0.14  -0.25     0.18  -0.19  -0.34
     9   6     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.01   0.01  -0.04
    10   1    -0.00   0.00  -0.03    -0.01   0.01  -0.08     0.00   0.00  -0.00
    11   1    -0.03  -0.02   0.02    -0.11  -0.07   0.07     0.05   0.04  -0.03
    12   6    -0.03  -0.06   0.02     0.01   0.01  -0.00     0.00  -0.00  -0.00
    13   6     0.02   0.05  -0.01     0.00  -0.01   0.01    -0.01  -0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00   0.11  -0.00     0.00  -0.05   0.00
    15   1    -0.02   0.01   0.02    -0.20   0.16   0.19     0.11  -0.09  -0.11
    16   1     0.07  -0.02   0.03     0.67  -0.21   0.34    -0.31   0.10  -0.16
    17   1    -0.01  -0.02   0.01    -0.02   0.02   0.01    -0.03   0.02   0.01
    18   1     0.46   0.32   0.06    -0.08  -0.06  -0.01     0.01   0.01   0.00
    19   1    -0.09   0.47  -0.32     0.01  -0.03   0.02    -0.00   0.01  -0.01
    20   1     0.01   0.01  -0.01    -0.00  -0.02  -0.04     0.00   0.01   0.05
    21   1     0.06  -0.32   0.22    -0.02   0.09  -0.06    -0.01   0.06  -0.04
    22   1    -0.32  -0.24  -0.05     0.00   0.00   0.00     0.10   0.08   0.01
    23   1    -0.03   0.00  -0.04    -0.07   0.01  -0.06    -0.28   0.03  -0.30
    24   1    -0.00   0.01  -0.01    -0.02   0.06  -0.06    -0.07   0.19  -0.18
    25   1    -0.01  -0.02  -0.03    -0.12  -0.14  -0.23    -0.16  -0.19  -0.30
    26   1     0.01  -0.00   0.05     0.01  -0.00   0.05     0.06  -0.02   0.35
    27   1    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.16   0.08   0.09
    28   1     0.00  -0.03   0.01     0.00  -0.01   0.00     0.03  -0.23   0.05
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3076.7280              3081.3466              3086.0948
 Red. masses --      1.1004                 1.1001                 1.1006
 Frc consts  --      6.1372                 6.1541                 6.1758
 IR Inten    --     61.9016                66.6751                55.1578
 RamAct Fr= 1--    161.2678                84.0349                73.4982
  Dep-P Fr= 1--      0.7500                 0.6575                 0.7209
  Dep-U Fr= 1--      0.8571                 0.7933                 0.8378
 Alpha2 Fr= 1--      0.0001                 0.1390                 0.0368
 Beta2  Fr= 1--     23.0376                11.1113                10.2633
 AlphaG Fr= 1--      0.0026                 0.0887                -0.0658
 Gamma2 Fr= 1--     -6.8900                50.8614                -0.1694
 Delta2 Fr= 1--     -3.3404                32.2436                 3.0667
 Raman1 Fr= 1--     645.071                336.140                293.993
 ROA1   Fr= 1--    -768.329               5914.490                 81.874
 CID1   Fr= 1--      -1.191                 17.595                  0.278
 Raman2 Fr= 1--     276.451                133.335                123.160
 ROA2   Fr= 1--    -138.635                962.725                -28.599
 CID2   Fr= 1--      -0.501                  7.220                 -0.232
 Raman3 Fr= 1--     552.902                266.671                246.320
 ROA3   Fr= 1--    -768.329               5914.490                 81.874
 CID3   Fr= 1--      -1.390                 22.179                  0.332
 RC180  Fr= 1--       0.714                  0.587                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.00   0.01   0.03     0.00   0.01   0.02
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.01
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
     8   1    -0.03   0.03   0.05     0.09  -0.10  -0.18     0.07  -0.08  -0.13
     9   6    -0.00   0.00   0.00    -0.04   0.03   0.07     0.03  -0.07   0.03
    10   1     0.00  -0.00  -0.00    -0.03   0.02  -0.19    -0.03   0.02  -0.15
    11   1     0.02   0.01  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.01
    12   6    -0.02  -0.05   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.06   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.03   0.00     0.00  -0.02   0.00    -0.00   0.05   0.00
    15   1    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.05  -0.04  -0.05
    16   1     0.04  -0.01   0.02    -0.11   0.03  -0.05    -0.07   0.02  -0.04
    17   1     0.00  -0.01   0.00    -0.03   0.02   0.01    -0.03   0.02   0.01
    18   1     0.33   0.23   0.05    -0.00  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.06   0.33  -0.23    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    20   1    -0.01  -0.02  -0.00     0.00   0.01   0.04     0.00   0.01   0.04
    21   1    -0.09   0.46  -0.32     0.00  -0.01   0.01    -0.00   0.00  -0.00
    22   1     0.45   0.33   0.07     0.01   0.01   0.00     0.02   0.02   0.00
    23   1     0.04  -0.00   0.04    -0.12   0.02  -0.12    -0.12   0.02  -0.14
    24   1     0.01  -0.03   0.03    -0.02   0.06  -0.05    -0.02   0.05  -0.04
    25   1     0.03   0.03   0.05    -0.05  -0.06  -0.10    -0.04  -0.05  -0.08
    26   1    -0.01   0.00  -0.03    -0.11   0.03  -0.52    -0.06   0.00  -0.37
    27   1     0.03  -0.01  -0.02     0.58  -0.27  -0.34    -0.26   0.11   0.17
    28   1    -0.00   0.00   0.00     0.01  -0.12   0.05    -0.08   0.75  -0.20
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3105.7597              3120.3603              3128.1721
 Red. masses --      1.0993                 1.0943                 1.0984
 Frc consts  --      6.2472                 6.2775                 6.3330
 IR Inten    --     33.7823                26.6740                41.6252
 RamAct Fr= 1--     23.3388                54.5189               118.0084
  Dep-P Fr= 1--      0.7362                 0.4801                 0.4302
  Dep-U Fr= 1--      0.8481                 0.6487                 0.6016
 Alpha2 Fr= 1--      0.0055                 0.2946                 0.7820
 Beta2  Fr= 1--      3.2988                 5.8944                11.8314
 AlphaG Fr= 1--     -0.0173                -0.0428                 0.2089
 Gamma2 Fr= 1--     -3.3961                 2.4489                 2.9231
 Delta2 Fr= 1--     -2.0382                 0.9614                 1.5940
 Raman1 Fr= 1--      93.355                218.076                472.033
 ROA1   Fr= 1--    -391.245                265.860                331.622
 CID1   Fr= 1--      -4.191                  1.219                  0.703
 Raman2 Fr= 1--      39.586                 70.732                141.977
 ROA2   Fr= 1--     -65.200                 51.082                 57.402
 CID2   Fr= 1--      -1.647                  0.722                  0.404
 Raman3 Fr= 1--      79.171                141.465                283.954
 ROA3   Fr= 1--    -391.245                265.860                331.622
 CID3   Fr= 1--      -4.942                  1.879                  1.168
 RC180  Fr= 1--       0.696                  0.297                  0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03   0.02   0.01     0.00  -0.00  -0.00     0.07  -0.04  -0.03
     8   1    -0.01   0.01   0.02     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.00  -0.00   0.02    -0.01   0.01  -0.06    -0.00   0.00  -0.01
    11   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00    -0.04  -0.02   0.02
    12   6     0.00  -0.00  -0.00    -0.07   0.04   0.02     0.00  -0.00  -0.00
    13   6    -0.02  -0.02  -0.08    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
    14   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.05  -0.00
    15   1     0.17  -0.14  -0.19    -0.02   0.01   0.02    -0.51   0.42   0.55
    16   1     0.19  -0.06   0.11     0.00  -0.00   0.00    -0.28   0.08  -0.16
    17   1    -0.03   0.02   0.01     0.74  -0.47  -0.35    -0.03   0.02   0.01
    18   1    -0.00   0.00   0.00     0.15   0.13   0.02    -0.01  -0.01  -0.00
    19   1    -0.00   0.00  -0.00     0.01  -0.17   0.12    -0.00   0.01  -0.00
    20   1     0.05   0.24   0.83     0.00   0.01   0.04     0.02   0.10   0.33
    21   1     0.03  -0.20   0.12     0.00  -0.01   0.01     0.01  -0.06   0.04
    22   1     0.19   0.14   0.01     0.01   0.01  -0.00     0.06   0.04   0.00
    23   1     0.03  -0.00   0.03    -0.02   0.00  -0.02    -0.02   0.00  -0.02
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1     0.01   0.01   0.02    -0.03  -0.04  -0.06    -0.00  -0.00  -0.01
    26   1     0.01  -0.00   0.03    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    27   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.02   0.01    -0.00   0.01  -0.00    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Molecular mass:   138.14085 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   918.032861552.462781670.45487
           X            0.99998  -0.00141   0.00537
           Y            0.00121   0.99931   0.03704
           Z           -0.00542  -0.03704   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09435     0.05579     0.05185
 Rotational constants (GHZ):           1.96588     1.16250     1.08039
 Zero-point vibrational energy     682224.1 (Joules/Mol)
                                  163.05547 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    182.69   253.70   289.52   307.98   331.33
          (Kelvin)            374.95   435.24   448.89   553.07   561.14
                              619.30   650.31   693.58   757.21   832.43
                              960.93  1132.28  1137.04  1195.74  1241.56
                             1277.97  1304.38  1340.14  1369.73  1390.32
                             1394.39  1455.01  1459.30  1478.13  1520.94
                             1547.79  1587.22  1598.09  1621.15  1698.02
                             1717.20  1766.47  1774.27  1784.40  1802.26
                             1825.09  1871.85  1903.75  1917.40  1943.48
                             1955.99  1980.31  2002.21  2020.34  2030.96
                             2046.58  2138.40  2140.71  2149.53  2156.29
                             2156.79  2165.92  2168.41  2186.07  2196.74
                             4344.92  4347.01  4350.50  4355.05  4356.43
                             4371.64  4373.48  4388.46  4395.50  4417.07
                             4418.47  4424.93  4426.73  4433.37  4440.20
                             4468.50  4489.50  4500.74
 
 Zero-point correction=                           0.259845 (Hartree/Particle)
 Thermal correction to Energy=                    0.269843
 Thermal correction to Enthalpy=                  0.270787
 Thermal correction to Gibbs Free Energy=         0.226038
 Sum of electronic and zero-point Energies=           -391.815244
 Sum of electronic and thermal Energies=              -391.805246
 Sum of electronic and thermal Enthalpies=            -391.804302
 Sum of electronic and thermal Free Energies=         -391.849052
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  169.329             41.382             94.184
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.681
 Rotational               0.889              2.981             29.255
 Vibrational            167.552             35.421             24.247
 Vibration     1          0.611              1.926              2.991
 Vibration     2          0.628              1.872              2.367
 Vibration     3          0.638              1.838              2.122
 Vibration     4          0.644              1.820              2.009
 Vibration     5          0.652              1.795              1.877
 Vibration     6          0.669              1.745              1.658
 Vibration     7          0.694              1.669              1.403
 Vibration     8          0.700              1.651              1.352
 Vibration     9          0.753              1.503              1.022
 Vibration    10          0.758              1.492              1.000
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.811              1.356              0.790
 Vibration    13          0.838              1.290              0.705
 Vibration    14          0.881              1.192              0.596
 Vibration    15          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.107151-103       -103.970005       -239.399784
 Total V=0       0.355214D+16         15.550490         35.806327
 Vib (Bot)       0.303987-117       -117.517145       -270.593226
 Vib (Bot)    1  0.160671D+01          0.205937          0.474187
 Vib (Bot)    2  0.114048D+01          0.057086          0.131445
 Vib (Bot)    3  0.990419D+00         -0.004181         -0.009627
 Vib (Bot)    4  0.926360D+00         -0.033220         -0.076492
 Vib (Bot)    5  0.855174D+00         -0.067946         -0.156451
 Vib (Bot)    6  0.745084D+00         -0.127795         -0.294258
 Vib (Bot)    7  0.627775D+00         -0.202196         -0.465573
 Vib (Bot)    8  0.605379D+00         -0.217972         -0.501900
 Vib (Bot)    9  0.468905D+00         -0.328916         -0.757356
 Vib (Bot)   10  0.460319D+00         -0.336941         -0.775835
 Vib (Bot)   11  0.404655D+00         -0.392915         -0.904721
 Vib (Bot)   12  0.378791D+00         -0.421601         -0.970772
 Vib (Bot)   13  0.346328D+00         -0.460513         -1.060370
 Vib (Bot)   14  0.304933D+00         -0.515795         -1.187662
 Vib (Bot)   15  0.263753D+00         -0.578802         -1.332742
 Vib (V=0)       0.100774D+03          2.003351          4.612885
 Vib (V=0)    1  0.218271D+01          0.338996          0.780567
 Vib (V=0)    2  0.174526D+01          0.241861          0.556906
 Vib (V=0)    3  0.160947D+01          0.206684          0.475907
 Vib (V=0)    4  0.155268D+01          0.191083          0.439985
 Vib (V=0)    5  0.149062D+01          0.173366          0.399190
 Vib (V=0)    6  0.139730D+01          0.145290          0.334543
 Vib (V=0)    7  0.130256D+01          0.114798          0.264331
 Vib (V=0)    8  0.128517D+01          0.108959          0.250887
 Vib (V=0)    9  0.118547D+01          0.073891          0.170141
 Vib (V=0)   10  0.117963D+01          0.071745          0.165199
 Vib (V=0)   11  0.114323D+01          0.058134          0.133858
 Vib (V=0)   12  0.112728D+01          0.052032          0.119809
 Vib (V=0)   13  0.110823D+01          0.044630          0.102764
 Vib (V=0)   14  0.108565D+01          0.035689          0.082178
 Vib (V=0)   15  0.106530D+01          0.027473          0.063258
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.638171D+08          7.804937         17.971532
 Rotational      0.552335D+06          5.742203         13.221910
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004039   -0.000026074    0.000013452
      2        6           0.000007966    0.000026585    0.000003598
      3        6           0.000036680    0.000008815    0.000021338
      4        6          -0.000078438    0.000028946   -0.000026848
      5        6           0.000068266   -0.000050693    0.000042459
      6        6           0.000000817   -0.000040430   -0.000004492
      7        6           0.000012142    0.000029831   -0.000009440
      8        1          -0.000000875    0.000000881    0.000001624
      9        6           0.000004673   -0.000001232   -0.000005313
     10        1          -0.000001833   -0.000010544   -0.000009475
     11        1          -0.000000232    0.000008767   -0.000002480
     12        6          -0.000001884   -0.000002111    0.000014370
     13        6          -0.000007366    0.000014509   -0.000005854
     14        1          -0.000002414   -0.000000985    0.000000003
     15        1           0.000007783   -0.000010205    0.000009792
     16        1          -0.000009209    0.000005097    0.000007028
     17        1          -0.000017976    0.000015316   -0.000026458
     18        1           0.000002135   -0.000001949   -0.000001129
     19        1           0.000003516    0.000000350    0.000000649
     20        1          -0.000006504    0.000004120   -0.000003570
     21        1           0.000001640   -0.000003894   -0.000003631
     22        1          -0.000000243   -0.000000651   -0.000001177
     23        1           0.000001415   -0.000006355   -0.000003842
     24        1           0.000001036    0.000001866    0.000002421
     25        1          -0.000015813    0.000004784   -0.000012507
     26        1           0.000001004    0.000004222   -0.000001000
     27        1          -0.000001523    0.000002167    0.000000111
     28        1          -0.000000723   -0.000001132    0.000000372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000078438 RMS     0.000017681
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.126819D+03 -0.341357D-01  0.612558D+00
      2  -0.341357D-01  0.113063D+03 -0.652093D-01
      3   0.612558D+00 -0.652093D-01  0.108855D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.256013D+01  0.103886D+01  0.266061D+01
      2   0.326873D+01 -0.926736D+00  0.661935D+01
      3   0.405134D+01  0.276135D+01 -0.163461D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.423488D+01 -0.220055D+02  0.112575D+02
      2  -0.702896D+01  0.107558D+02 -0.399695D+01
      3   0.112638D+02  0.112497D+02 -0.726052D+01
      4  -0.301701D+02 -0.100805D+02  0.295034D+01
      5   0.185517D+02  0.200544D+01  0.171096D+02
      6   0.970544D+00  0.444462D+01 -0.387577D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.111071D+01 -0.285586D+01  0.106513D+01 -0.339462D+01  0.221301D+00
      2  -0.285586D+01 -0.479232D+00  0.126302D+01  0.221301D+00  0.306010D+01
      3   0.106513D+01  0.126302D+01  0.294601D+01  0.173687D+01 -0.135689D+01
                 6             7             8             9            10 
      1   0.173687D+01  0.599703D+00  0.221276D+01  0.436041D+01 -0.232963D+00
      2  -0.135689D+01  0.221276D+01 -0.212899D+01 -0.225880D+01  0.359612D+01
      3  -0.163446D+01  0.436041D+01 -0.225880D+01 -0.373904D+00  0.149812D+01
                11            12            13            14            15 
      1   0.359612D+01  0.149812D+01  0.461734D+01  0.626956D+00  0.175404D+00
      2   0.147765D+01 -0.212013D+00  0.626956D+00 -0.519845D+01  0.558044D+00
      3  -0.212013D+00 -0.207723D+01  0.175404D+00  0.558044D+00  0.116493D+01
                16            17            18            19            20 
      1   0.246678D+01 -0.757610D-01 -0.236099D+01  0.908148D+00  0.161821D+01
      2  -0.757610D-01  0.151108D+01  0.129494D+01  0.161821D+01  0.689173D+00
      3  -0.236099D+01  0.129494D+01 -0.639189D+01 -0.758141D+00 -0.331321D+01
                21            22            23            24            25 
      1  -0.758141D+00  0.218226D+01  0.623774D+00 -0.323290D+01 -0.562252D+00
      2  -0.331321D+01  0.623774D+00 -0.407669D+01  0.153025D+01 -0.396170D+01
      3  -0.725603D+00 -0.323290D+01  0.153025D+01 -0.256555D+01 -0.782167D+00
                26            27            28            29            30 
      1  -0.396170D+01 -0.782167D+00 -0.289060D+01 -0.242824D+01  0.826744D+00
      2   0.205753D+01 -0.415098D+01 -0.242824D+01 -0.215050D+01  0.474341D+01
      3  -0.415098D+01 -0.419988D+00  0.826744D+00  0.474341D+01 -0.147427D+01
                31            32            33            34            35 
      1  -0.263144D+01 -0.189226D+01  0.487000D+01  0.836956D+00  0.547309D+01
      2  -0.189226D+01  0.158933D+01  0.647193D+00  0.547309D+01 -0.823599D+00
      3   0.487000D+01  0.647193D+00  0.286989D+01 -0.176561D+01  0.227720D+01
                36            37            38            39            40 
      1  -0.176561D+01  0.518425D+01  0.507186D+01  0.328921D+01  0.603384D+01
      2   0.227720D+01  0.507186D+01  0.167736D+01 -0.170943D+01  0.265589D+01
      3  -0.896626D+00  0.328921D+01 -0.170943D+01  0.750595D+00 -0.245578D+01
                41            42            43            44            45 
      1   0.265589D+01 -0.245578D+01  0.471818D+01 -0.212653D+01  0.184840D+00
      2  -0.326457D+01  0.308898D+01 -0.212653D+01  0.460089D+01 -0.280373D+01
      3   0.308898D+01 -0.259868D+01  0.184840D+00 -0.280373D+01 -0.214568D+01
                46            47            48            49            50 
      1  -0.430590D+01 -0.344225D+01 -0.287425D+01 -0.416706D+01 -0.136029D+00
      2  -0.344225D+01 -0.463917D+00 -0.192917D+00 -0.136029D+00  0.872523D+01
      3  -0.287425D+01 -0.192917D+00 -0.145786D+01 -0.143371D+00 -0.855944D+00
                51            52            53            54            55 
      1  -0.143371D+00 -0.588094D+01 -0.571994D+00 -0.160016D+00  0.174833D+01
      2  -0.855944D+00 -0.571994D+00 -0.715364D+00 -0.194374D+01 -0.271480D+00
      3  -0.277624D+01 -0.160016D+00 -0.194374D+01  0.385242D+01  0.361773D+01
                56            57            58            59            60 
      1  -0.271480D+00  0.361773D+01 -0.532431D+00 -0.191008D+01 -0.337693D+01
      2  -0.178001D+01 -0.351409D+01 -0.191008D+01 -0.148885D+01 -0.167555D+01
      3  -0.351409D+01  0.768303D+00 -0.337693D+01 -0.167555D+01  0.260093D+01
                61            62            63            64            65 
      1   0.295343D+01 -0.258652D+01  0.655293D+00 -0.298814D+01  0.179072D+01
      2  -0.258652D+01 -0.134759D+01  0.212792D+01  0.179072D+01 -0.131498D+01
      3   0.655293D+00  0.212792D+01 -0.270939D+00  0.179147D+01 -0.108614D+01
                66            67            68            69            70 
      1   0.179147D+01  0.179199D+01 -0.169341D+01 -0.124060D+01  0.304477D+01
      2  -0.108614D+01 -0.169341D+01  0.233806D+01  0.194324D+01 -0.183560D+01
      3  -0.186260D+01 -0.124060D+01  0.194324D+01  0.169446D+01 -0.312627D+01
                71            72            73            74            75 
      1  -0.183560D+01 -0.312627D+01  0.217190D+01 -0.388202D+01 -0.289337D+01
      2   0.268896D+01  0.246067D+01 -0.388202D+01 -0.186942D+01  0.636924D+00
      3   0.246067D+01  0.422235D+01 -0.289337D+01  0.636924D+00  0.238966D+01
                76            77            78            79            80 
      1  -0.555828D+01 -0.329415D+00  0.545960D+00 -0.377508D+01  0.279547D+00
      2  -0.329415D+00  0.668688D+01 -0.208442D+01  0.279547D+00 -0.230948D+01
      3   0.545960D+00 -0.208442D+01 -0.573199D+00  0.317922D+01 -0.267292D-02
                81            82            83            84            85 
      1   0.317922D+01  0.706378D+00 -0.551569D+00  0.103330D+01 -0.833023D+00
      2  -0.267292D-02 -0.551569D+00 -0.120632D+00 -0.486627D-02 -0.186180D+00
      3   0.487195D+01  0.103330D+01 -0.486627D-02  0.643524D+00  0.113500D+00
                86            87            88            89            90 
      1  -0.186180D+00  0.113500D+00  0.212269D+01  0.312438D+00  0.420748D+00
      2  -0.339062D+00  0.114962D+01  0.312438D+00  0.120812D+01 -0.124904D+01
      3   0.114962D+01 -0.114551D+01  0.420748D+00 -0.124904D+01  0.800608D+01
                91            92            93            94            95 
      1   0.588984D+01  0.311097D+01 -0.254819D+01  0.249566D+01  0.230379D+01
      2   0.311097D+01  0.295074D+01 -0.200027D+01  0.230379D+01  0.360941D+01
      3  -0.254819D+01 -0.200027D+01  0.226387D+01 -0.169808D+01 -0.167087D+01
                96            97            98            99           100 
      1  -0.169808D+01 -0.199678D+01 -0.169357D+01  0.226454D+01 -0.190317D+01
      2  -0.167087D+01 -0.169357D+01 -0.146822D+01  0.163736D+01 -0.481266D+01
      3   0.127062D+01  0.226454D+01  0.163736D+01 -0.253931D+01 -0.334616D+01
               101           102           103           104           105 
      1  -0.481266D+01 -0.334616D+01 -0.529049D+01 -0.187776D+01  0.124135D+01
      2  -0.114145D+01  0.935616D+00 -0.187776D+01  0.117952D+01 -0.418821D+01
      3   0.935616D+00  0.558174D+00  0.124135D+01 -0.418821D+01  0.292495D+01
               106           107           108           109           110 
      1  -0.294414D+01  0.146116D+01  0.471284D+00 -0.261566D+01 -0.459694D+01
      2   0.146116D+01 -0.335006D+01  0.264367D+01 -0.459694D+01 -0.895628D+00
      3   0.471284D+00  0.264367D+01  0.131670D+01 -0.213420D+01  0.129606D+01
               111           112           113           114           115 
      1  -0.213420D+01 -0.576214D+01 -0.270663D+01  0.167424D+01 -0.243764D+01
      2   0.129606D+01 -0.270663D+01  0.344705D+01 -0.268017D+01  0.148821D+01
      3   0.384049D+00  0.167424D+01 -0.268017D+01  0.280162D+01 -0.554835D+00
               116           117           118           119           120 
      1   0.148821D+01 -0.554835D+00  0.115626D+00 -0.109184D+01  0.500268D+00
      2  -0.321204D+01  0.341551D+01 -0.109184D+01  0.505050D+00 -0.107466D+00
      3   0.341551D+01  0.439890D+01  0.500268D+00 -0.107466D+00  0.120456D+00
               121           122           123           124           125 
      1  -0.160192D+01 -0.338168D+00  0.138833D+00  0.835575D+00  0.115970D+00
      2  -0.338168D+00 -0.108792D+02  0.111148D+00  0.115970D+00  0.304112D+00
      3   0.138833D+00  0.111148D+00 -0.813584D+00 -0.114647D+00 -0.115181D+01
               126           127           128           129           130 
      1  -0.114647D+00  0.221526D+01 -0.104956D+01 -0.203303D+01 -0.116801D+01
      2  -0.115181D+01 -0.104956D+01  0.129577D+01  0.127404D+01  0.109914D+01
      3  -0.867570D-01 -0.203303D+01  0.127404D+01  0.284315D+01  0.118417D+01
               131           132           133           134           135 
      1   0.109914D+01  0.118417D+01 -0.173872D+01  0.947540D+00  0.210741D+01
      2  -0.179754D+01 -0.174998D+01  0.947540D+00 -0.153626D+01 -0.230063D+01
      3  -0.174998D+01 -0.286234D+01  0.210741D+01 -0.230063D+01 -0.591735D+01
               136           137           138           139           140 
      1  -0.492488D+01  0.391687D+00 -0.317312D+01  0.914514D+00 -0.727566D+00
      2   0.391687D+00 -0.808958D+00  0.647706D+00 -0.727566D+00  0.701776D+00
      3  -0.317312D+01  0.647706D+00 -0.379537D+01  0.101699D+01 -0.734188D+00
               141           142           143           144           145 
      1   0.101699D+01 -0.220130D+01  0.480449D+00 -0.241185D+01 -0.361863D+01
      2  -0.734188D+00  0.480449D+00 -0.439318D+00  0.148686D+00  0.176672D+01
      3   0.912611D+00 -0.241185D+01  0.148686D+00 -0.404916D+01  0.120758D+01
               146           147           148           149           150 
      1   0.176672D+01  0.120758D+01  0.201873D+01 -0.105212D+01 -0.669404D+00
      2  -0.139235D+01 -0.976337D+00 -0.105212D+01  0.169423D+01  0.146224D+01
      3  -0.976337D+00 -0.257587D+01 -0.669404D+00  0.146224D+01  0.145998D+01
               151           152           153           154           155 
      1   0.131398D+01 -0.736930D+00 -0.136373D+01  0.649297D+01  0.300565D+01
      2  -0.736930D+00  0.122897D+01  0.932861D+00  0.300565D+01  0.226141D+01
      3  -0.136373D+01  0.932861D+00  0.220380D+01  0.271427D+01  0.107077D+01
               156           157           158           159           160 
      1   0.271427D+01  0.360581D+01  0.251407D+01  0.128671D+01  0.860648D+00
      2   0.107077D+01  0.251407D+01  0.250168D+01  0.165525D+01  0.330941D+00
      3   0.233307D+01  0.128671D+01  0.165525D+01  0.121587D+01  0.120552D+01
               161           162           163           164           165 
      1   0.330941D+00  0.120552D+01  0.104411D+01 -0.383765D+00  0.138116D+01
      2   0.611876D+00  0.546677D+00 -0.383765D+00  0.614691D+00 -0.442417D+00
      3   0.546677D+00  0.888555D+00  0.138116D+01 -0.442417D+00  0.797648D+00
               166           167           168           169           170 
      1  -0.112395D+01  0.131447D+01 -0.139046D+01  0.114396D+01 -0.730486D+00
      2   0.131447D+01 -0.405609D+01  0.330573D+01 -0.730486D+00  0.212877D+01
      3  -0.139046D+01  0.330573D+01 -0.461026D+01  0.116256D+01 -0.261995D+01
               171           172           173           174           175 
      1   0.116256D+01  0.123228D+00  0.239023D+00 -0.880560D+00  0.921699D-01
      2  -0.261995D+01  0.239023D+00  0.306878D-01  0.117060D+00  0.759879D+00
      3   0.458967D+01 -0.880560D+00  0.117060D+00  0.292199D+00  0.301421D+00
               176           177           178           179           180 
      1   0.759879D+00  0.301421D+00 -0.218454D+01  0.823971D+00  0.133658D+01
      2  -0.161121D+01 -0.114605D+01  0.823971D+00 -0.152475D+01 -0.225467D+01
      3  -0.114605D+01 -0.185372D+01  0.133658D+01 -0.225467D+01 -0.644730D+01
               181           182           183           184           185 
      1   0.158291D+01 -0.907999D+00  0.790193D+00 -0.209903D+01  0.308373D+01
      2  -0.907999D+00  0.888598D+00 -0.488175D+00  0.308373D+01 -0.657464D+01
      3   0.790193D+00 -0.488175D+00  0.234841D+00 -0.972217D+00  0.227339D+01
               186           187           188           189           190 
      1  -0.972217D+00  0.221852D+01 -0.164140D+01  0.112193D+01  0.916626D+01
      2   0.227339D+01 -0.164140D+01  0.319923D+01 -0.216679D+01  0.202934D+01
      3  -0.195581D+01  0.112193D+01 -0.216679D+01  0.169216D+01  0.306289D+00
               191           192           193           194           195 
      1   0.202934D+01  0.306289D+00  0.531292D+01  0.208987D+01 -0.111793D+00
      2   0.151387D+01  0.153097D-01  0.208987D+01  0.146936D+01  0.353597D+00
      3   0.153097D-01  0.802337D+00 -0.111793D+00  0.353597D+00  0.536319D+00
               196           197           198           199           200 
      1   0.102184D+01 -0.106701D+00  0.120393D+01 -0.453759D+01  0.105162D+01
      2  -0.106701D+00  0.536225D+00  0.369650D-01  0.105162D+01 -0.124426D+01
      3   0.120393D+01  0.369650D-01 -0.925539D-01 -0.213484D+01  0.401120D+00
               201           202           203           204           205 
      1  -0.213484D+01  0.691932D+00 -0.855444D+00  0.128471D+00 -0.342931D+01
      2   0.401120D+00 -0.855444D+00  0.157728D+00 -0.465424D+00  0.264517D+00
      3  -0.175821D+01  0.128471D+00 -0.465424D+00  0.379398D+00 -0.220289D+01
               206           207           208           209           210 
      1   0.264517D+00 -0.220289D+01 -0.127382D+01  0.136538D+01 -0.716545D+00
      2  -0.133169D+01  0.932393D+00  0.136538D+01 -0.175913D+01  0.105375D+01
      3   0.932393D+00 -0.252201D+01 -0.716545D+00  0.105375D+01 -0.422955D+00
               211           212           213           214           215 
      1   0.102452D+01 -0.139996D+01  0.771801D+00 -0.118601D+01  0.135462D+01
      2  -0.139996D+01  0.780521D+01 -0.314889D+01  0.135462D+01 -0.494746D+01
      3   0.771801D+00 -0.314889D+01  0.219159D+01 -0.552725D+00  0.352363D+01
               216           217           218           219           220 
      1  -0.552725D+00  0.172099D+01  0.929679D+00  0.120053D+01  0.755633D+00
      2   0.352363D+01  0.929679D+00  0.193541D+01  0.120656D+01  0.110788D+01
      3  -0.304185D+01  0.120053D+01  0.120656D+01  0.125322D+01  0.815038D+00
               221           222           223           224           225 
      1   0.110788D+01  0.815038D+00  0.162396D+01  0.112557D+01  0.125241D+01
      2   0.432249D+01  0.190378D+01  0.112557D+01  0.322953D+01  0.275730D+01
      3   0.190378D+01  0.182155D+01  0.125241D+01  0.275730D+01  0.342092D+01
               226           227           228           229           230 
      1  -0.144659D+01  0.199782D+00 -0.101000D+01  0.849767D+00 -0.275347D+00
      2   0.199782D+00 -0.565605D-02 -0.233869D+00 -0.275347D+00 -0.673628D+00
      3  -0.101000D+01 -0.233869D+00 -0.133144D+01 -0.126262D+00 -0.624702D+00
               231           232           233           234           235 
      1  -0.126262D+00 -0.279782D+01 -0.969982D+00 -0.227571D+01 -0.928740D+01
      2  -0.624702D+00 -0.969982D+00 -0.139073D+01 -0.648027D+00  0.639842D+00
      3   0.382392D-01 -0.227571D+01 -0.648027D+00 -0.625226D+01  0.284911D+01
               236           237           238           239           240 
      1   0.639842D+00  0.284911D+01  0.342418D+01 -0.101944D+01 -0.861176D+00
      2  -0.994825D+00 -0.296527D+00 -0.101944D+01  0.320615D+00  0.727231D+00
      3  -0.296527D+00 -0.184279D+01 -0.861176D+00  0.727231D+00  0.790405D+00
               241           242           243           244           245 
      1   0.426397D+01 -0.694626D-01 -0.258427D+01 -0.155567D+00 -0.532402D+00
      2  -0.694626D-01  0.110075D+01  0.223849D+00 -0.532402D+00  0.580515D+00
      3  -0.258427D+01  0.223849D+00  0.148449D+01  0.431299D+00 -0.836075D-01
               246           247           248           249           250 
      1   0.431299D+00 -0.164885D+01 -0.200093D+01  0.278213D+00  0.110957D+01
      2  -0.836075D-01 -0.200093D+01 -0.964874D+01  0.167160D+01  0.435839D+00
      3  -0.569045D-01  0.278213D+00  0.167160D+01 -0.128401D+01 -0.670954D+00
               251           252 
      1   0.435839D+00 -0.670954D+00
      2   0.211955D+01 -0.140878D+01
      3  -0.140878D+01  0.499569D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.462875D+01 -0.350776D+01 -0.344967D+01 -0.388256D+01  0.666655D+01
      2  -0.320097D+01 -0.228270D+01 -0.636899D+01 -0.283481D+01  0.314106D+01
      3  -0.809643D+01 -0.997426D+01  0.608697D+01 -0.325440D+01  0.679671D+01
                 6             7             8             9            10 
      1   0.767939D+00 -0.463726D+01  0.578840D+01 -0.308450D+00  0.425399D+01
      2   0.407779D+01 -0.150115D+02  0.523430D+01  0.617938D-01 -0.354926D+01
      3  -0.105210D+00  0.758539D+01 -0.493285D+00  0.533212D+00  0.822891D+01
                11            12            13            14            15 
      1   0.240841D+01 -0.143554D+01  0.197394D+01 -0.387877D+01 -0.102923D+01
      2  -0.117169D+01  0.483863D+01 -0.173134D+01 -0.240712D+01 -0.198042D+01
      3  -0.442911D+01 -0.237329D+01  0.301632D+01 -0.114038D+02  0.137500D+01
                16            17            18            19            20 
      1  -0.571614D+00  0.624212D+01 -0.479709D+01  0.213284D+01  0.103313D+02
      2   0.734708D+00 -0.221491D+01  0.149767D+02 -0.205599D+01  0.134747D+01
      3  -0.266021D+01  0.294556D+01  0.198140D+01  0.330529D+01  0.418734D+01
                21            22            23            24            25 
      1   0.281988D+01  0.101331D+02 -0.324150D+01  0.567459D+01  0.423315D+01
      2   0.216846D+01  0.157963D+01  0.539429D-01 -0.429883D+00 -0.217822D+01
      3  -0.255178D+01  0.108969D+02  0.339254D+00 -0.829071D+01 -0.295478D+01
                26            27            28            29            30 
      1   0.142858D+02  0.379875D+01  0.905905D+00 -0.749685D+01 -0.521732D+01
      2  -0.146855D+01  0.156422D+01 -0.333267D+00  0.393649D+01  0.160396D+01
      3  -0.928975D+01 -0.258717D+01  0.198238D+01 -0.543968D+01 -0.201219D+01
                31            32            33            34            35 
      1  -0.702497D+01 -0.281660D+01 -0.788242D+01 -0.368909D+01 -0.707289D+00
      2   0.381005D+01  0.163214D+00  0.860930D+01 -0.527465D+01  0.102029D+02
      3   0.103760D+01 -0.398042D+01  0.602969D+01 -0.438687D+01  0.779225D+01
                36            37            38            39            40 
      1  -0.305054D+01  0.461523D+01  0.439459D+00 -0.452377D-01  0.205901D+01
      2  -0.200185D+01  0.522037D+01 -0.447926D+01  0.409916D+01 -0.642961D+01
      3  -0.383526D+01 -0.125429D+02 -0.109630D+02  0.174299D+01 -0.276203D+01
                41            42            43            44            45 
      1   0.866093D+00 -0.428319D+01 -0.933354D+00  0.494893D+01 -0.366141D+01
      2   0.682451D+01 -0.661225D+01 -0.703874D+01 -0.680528D+01 -0.627044D+01
      3   0.402869D+01 -0.528395D+01  0.118886D+01 -0.889975D+01  0.685403D+01
                46            47            48            49            50 
      1  -0.582691D+01 -0.767895D+00 -0.112675D+01  0.170055D+00 -0.705911D-02
      2  -0.210586D+01 -0.118417D+01  0.743251D+00 -0.244633D+00  0.415434D+00
      3   0.516489D+01  0.255305D+01  0.315816D+01  0.108291D+02  0.342378D+01
                51            52            53            54            55 
      1  -0.757501D+01 -0.277425D+01 -0.166982D+01  0.927488D+01  0.268422D+01
      2   0.217441D+01 -0.591478D+01 -0.350378D+00 -0.256226D+01  0.540252D+01
      3   0.520644D+00  0.671705D+01  0.472940D+00 -0.659943D+00 -0.555110D+00
                56            57            58            59            60 
      1   0.576651D+01  0.101019D+02  0.249587D+01  0.270660D+01  0.489198D+01
      2  -0.226570D+01  0.138394D+02 -0.234791D+01 -0.714977D+01 -0.106878D+02
      3  -0.159744D+01 -0.240975D+01  0.274877D+01  0.130222D+01  0.175464D+01
                61            62            63            64            65 
      1   0.878072D+01  0.805336D+01 -0.749999D+01 -0.178495D+01  0.407319D+00
      2   0.576211D+01 -0.751150D+01  0.806078D+00 -0.201772D+01  0.163424D+01
      3  -0.131773D+01  0.147503D+01  0.817199D-01 -0.114081D+01 -0.181294D+01
                66            67            68            69            70 
      1   0.287535D+01  0.140958D+01 -0.116816D+01 -0.298767D+01  0.382690D+01
      2   0.468116D+01  0.129027D+01 -0.354679D+01 -0.378652D+01  0.299868D+01
      3   0.229473D+00  0.166442D+01  0.252042D+01  0.145367D+01  0.176695D+01
                71            72            73            74            75 
      1   0.158865D+00 -0.600512D+01 -0.585956D+01 -0.509234D+00  0.363378D+01
      2  -0.415955D+01 -0.829258D+01  0.101671D+02 -0.185211D+00 -0.525135D+01
      3   0.426783D+01  0.199404D+00 -0.172592D+02 -0.162844D+01  0.629376D+01
                76            77            78            79            80 
      1  -0.427290D-01 -0.277049D+01 -0.242672D+01  0.544406D+01  0.178565D+01
      2  -0.265303D+00  0.685420D+01  0.135154D+01 -0.130361D+02 -0.139277D+01
      3   0.103832D+02  0.237164D+02 -0.815687D+01  0.635486D+01 -0.765583D+01
                81            82            83            84            85 
      1   0.746854D+01  0.551511D+00 -0.220565D+00  0.691124D+00 -0.109269D+00
      2  -0.171938D+02 -0.370534D+01  0.441454D-01 -0.165965D+01  0.329458D+00
      3  -0.448808D+01 -0.204459D+01 -0.250796D+00 -0.455058D+00  0.240361D+01
                86            87            88            89            90 
      1   0.545346D+00 -0.611235D+00  0.105813D+01  0.293317D+01  0.466269D+01
      2  -0.171749D+01  0.150537D+01 -0.695331D+01  0.132076D+01 -0.146569D+02
      3   0.510924D+00  0.202059D+01 -0.144659D+01  0.207606D+01 -0.143397D+01
                91            92            93            94            95 
      1  -0.382726D+00 -0.166036D+01 -0.188538D+01 -0.529894D+00 -0.274026D+01
      2   0.425158D+01  0.855030D+00  0.237193D+01  0.174798D+01  0.701676D+00
      3   0.551038D+01 -0.239510D+01 -0.787608D+00  0.315023D+01 -0.177561D+01
                96            97            98            99           100 
      1  -0.159514D+01 -0.105367D+01  0.168290D+01  0.250883D+01 -0.101764D+02
      2   0.833786D+00 -0.158786D+01 -0.388586D+00 -0.145732D+01 -0.243941D+01
      3  -0.360239D+00 -0.186177D+01  0.185441D+00  0.119798D+01  0.902174D+01
               101           102           103           104           105 
      1  -0.180251D+01  0.184095D+01 -0.532311D+01  0.239405D+01 -0.133641D+02
      2   0.121671D+02  0.122124D+02  0.142423D+02 -0.453039D+01  0.305357D+01
      3  -0.534211D+00 -0.266735D+01  0.480584D+01 -0.235157D+01  0.844167D+01
               106           107           108           109           110 
      1   0.377452D+01 -0.629104D+01  0.615894D+01 -0.738368D+00  0.170579D+01
      2   0.595215D+01  0.177783D+01  0.896235D+00 -0.667764D+01  0.257951D+01
      3  -0.358221D+01  0.661570D+01 -0.483944D+01  0.186847D+02  0.815386D+01
               111           112           113           114           115 
      1  -0.238670D+00  0.258839D+01 -0.440130D+01  0.303436D+01 -0.238467D+01
      2   0.184108D+01  0.239733D+01 -0.881522D+01  0.106077D+02 -0.646135D+01
      3  -0.190347D+01  0.177625D+02 -0.922898D+01  0.636496D+01 -0.176293D+01
               116           117           118           119           120 
      1   0.781172D+01  0.575191D+01  0.121106D+01 -0.947507D-01 -0.643380D-01
      2   0.126122D+02  0.161414D+02 -0.412163D+00 -0.191203D+00  0.961983D+00
      3   0.715097D+01 -0.106048D+02 -0.162902D+00 -0.183422D+00 -0.556794D+00
               121           122           123           124           125 
      1   0.402745D+00  0.258235D+01 -0.543962D+01  0.172198D+00 -0.528287D+00
      2  -0.614643D-01 -0.676735D+00  0.323371D+00 -0.144931D+01  0.198672D+00
      3   0.736889D+01 -0.131729D+01 -0.179061D+00 -0.148684D+01 -0.276882D+00
               126           127           128           129           130 
      1  -0.424406D-01  0.229037D+01 -0.419356D+01 -0.185203D+01 -0.276992D+01
      2   0.989298D-03  0.759427D+01 -0.285420D+01 -0.293667D+01 -0.404518D+01
      3  -0.163544D-01 -0.160663D+01 -0.548945D+00  0.753612D+00  0.241776D+01
               131           132           133           134           135 
      1   0.420254D+01  0.930796D+00 -0.190606D+01  0.427084D+01  0.278704D+01
      2   0.267508D+01  0.242665D+01 -0.639278D+01  0.242342D+01  0.280742D+01
      3  -0.191503D+00 -0.170821D+00  0.134702D+01  0.516098D+00 -0.612562D+00
               136           137           138           139           140 
      1  -0.180549D+01  0.427187D+01 -0.251998D+01  0.207361D+01 -0.247424D+01
      2  -0.152088D+02  0.106420D+01 -0.449742D+01  0.291322D+01 -0.169700D+01
      3   0.122474D+01 -0.272351D+01  0.119835D+01  0.542851D+00  0.611319D+00
               141           142           143           144           145 
      1   0.137596D+00 -0.167627D+01  0.269218D+01 -0.970881D+00  0.421883D+01
      2   0.209999D+01 -0.687098D+01  0.944412D+00 -0.420894D+01  0.143236D+02
      3  -0.326654D+00  0.300528D+00 -0.172861D+01  0.913447D+00 -0.555377D+01
               146           147           148           149           150 
      1  -0.482802D+01 -0.522183D+00 -0.368929D+01  0.481425D+01  0.826715D+00
      2  -0.605389D+01 -0.478672D+01 -0.704220D+01  0.521551D+01  0.306456D+01
      3   0.170981D+01  0.163960D+01  0.423526D+01 -0.272677D+01 -0.220207D+01
               151           152           153           154           155 
      1  -0.133787D+01  0.334854D+01  0.100003D+01  0.621276D+01  0.550424D+01
      2  -0.717141D+01  0.333873D+01  0.522200D+01 -0.878615D+01 -0.412211D+01
      3   0.219082D+01 -0.127621D+01 -0.180583D+01 -0.265532D+01 -0.554650D+01
               156           157           158           159           160 
      1   0.710196D+00  0.482573D+01  0.533181D+01  0.134929D+01  0.648807D+00
      2   0.162355D+01 -0.612012D+01 -0.194861D+01  0.781926D+00 -0.160492D+01
      3  -0.165506D+01 -0.147726D+01 -0.488704D+01 -0.246281D+01 -0.787718D-01
               161           162           163           164           165 
      1   0.218971D+01  0.889001D+00 -0.696539D+00  0.174369D+01 -0.831172D+00
      2  -0.358975D+00 -0.815282D+00  0.685680D+00 -0.176360D+00 -0.641681D-01
      3  -0.109932D+01 -0.504047D+00  0.583604D+00 -0.183201D+01  0.960717D+00
               166           167           168           169           170 
      1   0.284813D+01 -0.106399D+02  0.491940D+01 -0.199234D+01  0.754047D+01
      2   0.134820D+01  0.343553D+01 -0.625509D+01 -0.251619D+01 -0.272538D+01
      3  -0.119891D+00  0.719781D+01 -0.562135D+01  0.551234D+00 -0.421081D+01
               171           172           173           174           175 
      1  -0.566574D+01 -0.171588D+01  0.131499D+00 -0.254313D+00 -0.406829D-01
      2   0.563478D+01 -0.334573D+01  0.888327D+00  0.229665D-01  0.531006D+00
      3   0.460040D+01 -0.115479D+00 -0.100224D+01  0.783355D+00 -0.805423D+00
               176           177           178           179           180 
      1   0.103970D+00 -0.298434D+01  0.126327D+00  0.425498D+00 -0.832905D+01
      2  -0.275739D+01 -0.571133D+01 -0.187576D+01 -0.585930D+01 -0.206440D+02
      3   0.343741D+01  0.286175D+01  0.142286D+01  0.407677D+01  0.585728D+01
               181           182           183           184           185 
      1   0.118845D+01 -0.874423D+00  0.817956D+00 -0.176272D+01  0.366632D+01
      2   0.250576D+01 -0.177721D+01  0.204910D+01 -0.243549D+01  0.760046D+01
      3   0.116208D+01 -0.340974D+01  0.627527D+00 -0.403761D+01  0.166838D+02
               186           187           188           189           190 
      1  -0.585813D+01  0.123172D+01 -0.198795D+01  0.376435D+01 -0.370299D+00
      2  -0.720169D+01  0.180848D+01 -0.621504D+01  0.533358D+01  0.292956D+01
      3  -0.576200D+01  0.888000D+00 -0.830998D+01  0.528632D+01 -0.156985D+02
               191           192           193           194           195 
      1  -0.394246D+00  0.245824D+00 -0.540671D+00 -0.132512D+00 -0.100798D+01
      2   0.102838D+01  0.552255D+01  0.101049D+01  0.175130D+01  0.282644D+01
      3  -0.995909D+01 -0.505496D+00 -0.950202D+01 -0.804530D+01 -0.113263D+01
               196           197           198           199           200 
      1   0.943264D+00  0.418691D+00 -0.250019D+00  0.355755D+01  0.370239D+00
      2   0.220459D+01 -0.390028D-01  0.451706D-01  0.493365D+01 -0.960250D+00
      3  -0.441118D+00 -0.189178D+01 -0.106244D+01 -0.449050D+01 -0.348251D+01
               201           202           203           204           205 
      1   0.301409D+01 -0.799372D-01  0.425134D+00 -0.162788D+01  0.289095D+01
      2   0.656155D+01 -0.144615D+00  0.123760D+01 -0.926777D+00  0.395335D+01
      3  -0.240522D+01  0.514041D+00 -0.172560D+01 -0.648763D+00 -0.490995D+01
               206           207           208           209           210 
      1  -0.923067D-01  0.468926D+01  0.113896D+01 -0.252985D+01  0.142116D+01
      2  -0.192539D+01  0.756773D+01 -0.776711D+00  0.310543D+00  0.110782D+01
      3  -0.375669D+01 -0.133009D+01 -0.338404D+01  0.101753D+01 -0.138240D+01
               211           212           213           214           215 
      1  -0.158442D+01  0.476157D+01 -0.717940D+01  0.250529D+00 -0.498878D+01
      2   0.980598D+00  0.173510D+00 -0.898561D+00 -0.190920D+01 -0.112787D+00
      3   0.448006D+01 -0.778296D+00  0.933721D+00 -0.413606D+01  0.135471D+01
               216           217           218           219           220 
      1   0.750574D+01 -0.363176D+01 -0.293173D+01 -0.458990D+01 -0.221306D+01
      2   0.706798D+00  0.921406D-01 -0.342667D+00  0.697310D+00 -0.817489D+00
      3   0.371150D-01  0.551812D+01  0.486463D+00  0.350550D+01  0.341975D+01
               221           222           223           224           225 
      1  -0.495468D+01 -0.633037D+01 -0.420012D+01 -0.537994D+01 -0.117757D+02
      2  -0.759460D+00  0.303229D+00 -0.216949D+01 -0.233055D+00 -0.973008D+00
      3   0.269548D+01  0.263332D+01  0.636689D+01  0.304817D+01  0.355343D+01
               226           227           228           229           230 
      1  -0.173849D+01  0.423416D-01 -0.204281D+01 -0.377713D+00 -0.916488D+00
      2   0.342703D+01  0.969266D+00  0.471411D+01  0.858430D+00  0.188695D+01
      3   0.224437D+01 -0.103028D+01  0.683425D+00 -0.465834D+00 -0.111904D+01
               231           232           233           234           235 
      1  -0.783601D+00 -0.263923D+01  0.198207D+01 -0.100737D+02  0.391691D+01
      2  -0.562273D+00  0.340541D+01  0.123321D+01  0.218533D+02 -0.513100D+01
      3  -0.142566D+01  0.110923D+01 -0.388635D+01  0.152000D+01  0.148682D+02
               236           237           238           239           240 
      1  -0.146559D+01 -0.232070D+01 -0.118442D+01  0.139279D+01  0.546035D+00
      2   0.956450D+00  0.770276D+01  0.120747D+01 -0.191274D+01 -0.299052D+01
      3  -0.695591D+01 -0.511782D+01 -0.600625D+01  0.308106D+01  0.331183D+01
               241           242           243           244           245 
      1  -0.288340D+01  0.208385D+01  0.155623D+01  0.477543D+00  0.154716D+00
      2   0.482398D+01 -0.892002D+00 -0.404654D+01 -0.148179D+01  0.234927D+00
      3  -0.588312D+01  0.476325D+01  0.401046D+01 -0.217941D+01  0.106308D+01
               246           247           248           249           250 
      1   0.223771D+00 -0.130196D+00 -0.286821D+00 -0.453842D+01 -0.716011D+00
      2   0.627586D+00  0.273712D+00 -0.421127D+01  0.400349D+01  0.360109D+00
      3  -0.850216D+00  0.166484D+00 -0.268308D+02  0.473289D+01 -0.880750D+00
               251           252 
      1  -0.469324D+00  0.584045D+00
      2   0.338267D+01 -0.800867D+00
      3   0.603445D+01 -0.284620D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.390087D+01  0.879087D+01 -0.109868D+02  0.721122D+01 -0.178216D+01
      2   0.277350D+01 -0.604527D+01  0.615278D+01 -0.489254D+01  0.444804D+01
      3   0.112737D+01 -0.274561D+01  0.483400D+01 -0.231868D+01 -0.266589D+01
      4   0.143362D+02 -0.458170D+01 -0.692430D-01 -0.802207D+01 -0.928986D+01
      5  -0.285183D+01 -0.500527D+01 -0.142993D+02 -0.677490D+01  0.517133D+01
      6  -0.267234D-01  0.683743D+01  0.848421D+01  0.727706D+01 -0.632741D+01
                 6             7             8             9            10 
      1   0.970213D-01 -0.144842D+02 -0.157322D+01 -0.126906D+02 -0.201946D+01
      2  -0.141028D+01  0.980141D+01  0.196039D+01  0.654006D+01 -0.126582D+01
      3   0.131326D+01  0.468282D+01 -0.387170D+00  0.615053D+01  0.328529D+01
      4   0.791764D+01 -0.142668D+01  0.113990D+02  0.189526D+02 -0.195452D+02
      5   0.793622D+01 -0.213815D+02  0.129471D+02  0.367735D+01 -0.433959D+01
      6  -0.612140D+01  0.137189D+02 -0.765799D+01 -0.704433D+01 -0.682906D+00
                11            12            13            14            15 
      1  -0.114121D+02 -0.302405D+01 -0.152412D+02 -0.748362D+01 -0.225357D+01
      2   0.177512D+01  0.148160D+01  0.578966D+01  0.820041D+01  0.587682D+00
      3   0.963698D+01  0.154245D+01  0.945149D+01 -0.716788D+00  0.166589D+01
      4  -0.113166D+02 -0.227976D+01 -0.107145D+02  0.120751D+02 -0.401992D+00
      5   0.207233D+01  0.506972D+01  0.154388D+01 -0.108937D+01 -0.312587D+01
      6  -0.227774D+01  0.798560D+00 -0.102034D+01 -0.576646D+00 -0.180263D+01
                16            17            18            19            20 
      1  -0.220972D+01 -0.409656D+01  0.197771D+02 -0.456531D+01 -0.480293D+01
      2   0.119467D+01 -0.229934D+01  0.250926D+01  0.413984D+01  0.413240D+00
      3   0.101505D+01  0.639590D+01 -0.222864D+02  0.425469D+00  0.438969D+01
      4  -0.436726D+01 -0.470013D+01 -0.136996D+01  0.442652D+00 -0.377313D+01
      5   0.117560D+02 -0.257398D+01  0.143894D+02 -0.313773D+01  0.937470D+00
      6   0.161178D+01  0.792750D+00  0.121128D+02 -0.285381D+01 -0.145661D+02
                21            22            23            24            25 
      1   0.108589D+02 -0.674602D+01  0.176228D+02 -0.555712D+01  0.154169D+02
      2  -0.159072D+02  0.389757D+01 -0.210753D+02  0.717591D+01 -0.182925D+02
      3   0.504836D+01  0.284845D+01  0.345251D+01 -0.161878D+01  0.287557D+01
      4  -0.193131D+01  0.139139D+01  0.437270D+01 -0.129920D+02 -0.373739D+01
      5  -0.153931D+01  0.110783D+01 -0.663070D+01  0.234373D+00  0.621973D+00
      6   0.859318D+00 -0.137373D+02  0.122704D+02 -0.164340D+02 -0.278375D+01
                26            27            28            29            30 
      1  -0.849334D+01  0.157053D+02 -0.431652D+01 -0.125699D+01 -0.244207D+01
      2   0.101273D+02 -0.213943D+02  0.392197D+01  0.102727D+02  0.877653D+01
      3  -0.163395D+01  0.568905D+01  0.394553D+00 -0.901569D+01 -0.633446D+01
      4  -0.144675D+02 -0.320880D+01 -0.130225D+02 -0.125307D+02  0.129808D+02
      5  -0.640147D+00 -0.383167D+01  0.103396D+02  0.112127D+02 -0.107153D+02
      6  -0.255317D+02  0.133508D+01  0.833596D+01  0.119440D+02 -0.125195D+02
                31            32            33            34            35 
      1   0.127639D+01 -0.594948D+01  0.685223D+01 -0.298093D+01  0.129485D+02
      2   0.470982D+01  0.114884D+02 -0.513682D+01  0.776229D+01 -0.617336D+01
      3  -0.598622D+01 -0.553892D+01 -0.171541D+01 -0.478136D+01 -0.677517D+01
      4  -0.125514D+02 -0.598071D+01  0.578033D+01  0.179032D+02  0.638495D+01
      5   0.803757D+01  0.223956D+01 -0.289121D+01 -0.914746D+01 -0.282587D+01
      6   0.778196D+01  0.236361D+01 -0.606293D+01 -0.899283D+01  0.252530D+00
                36            37            38            39            40 
      1  -0.590406D+01  0.463815D+01  0.148962D+02  0.133632D+02  0.168240D+02
      2   0.857723D+01 -0.102891D+02 -0.101800D+02 -0.650837D+01 -0.877661D+01
      3  -0.267317D+01  0.565094D+01 -0.471615D+01 -0.685488D+01 -0.804743D+01
      4  -0.391348D-01  0.136687D+02 -0.837952D+00 -0.958787D+01  0.129432D+01
      5  -0.953252D+00  0.147415D+02 -0.395579D+01  0.713306D+01 -0.201897D+01
      6  -0.139134D+00 -0.171610D+01  0.282819D+00  0.331170D+01  0.351873D+01
                41            42            43            44            45 
      1  -0.194675D+01 -0.174504D+01  0.148137D+02 -0.518791D+01  0.580605D+01
      2  -0.131593D+00  0.599817D+01 -0.766278D+01  0.382400D+01 -0.117019D+01
      3   0.207835D+01 -0.425313D+01 -0.715091D+01  0.136391D+01 -0.463586D+01
      4  -0.467603D+01  0.956781D+01 -0.125286D+02  0.823112D+01 -0.108362D+02
      5   0.116628D+02 -0.702733D+01  0.420023D+01 -0.921035D+01 -0.538739D+01
      6  -0.362360D+00  0.640789D+01 -0.207581D+01 -0.300394D+00 -0.181853D+01
                46            47            48            49            50 
      1  -0.821922D+01 -0.673287D-01 -0.320418D+01  0.725497D+00  0.230469D+02
      2   0.519253D+01  0.463646D+01  0.448110D+01  0.900514D+00 -0.362247D+02
      3   0.302670D+01 -0.456913D+01 -0.127693D+01 -0.162601D+01  0.131778D+02
      4   0.389077D+01  0.304979D+01  0.282985D+01  0.334343D+01  0.134212D+01
      5  -0.605332D+01 -0.386300D+01 -0.364886D+01 -0.504290D+01 -0.730387D+01
      6   0.777352D-01  0.856431D+00 -0.455693D+01 -0.322904D+01 -0.399143D+01
                51            52            53            54            55 
      1  -0.655389D+01 -0.109504D+01 -0.159635D+01  0.201321D+00  0.559428D+01
      2  -0.877393D+00  0.412336D+01 -0.119159D+01  0.845994D+01  0.816766D+01
      3   0.743128D+01 -0.302831D+01  0.278795D+01 -0.866126D+01 -0.137619D+02
      4  -0.399035D+01  0.617618D+01  0.164261D+01  0.133694D+01  0.182150D+01
      5   0.897270D+00 -0.222406D+01  0.147970D+01 -0.183359D+01 -0.610774D+01
      6  -0.539304D-01  0.576389D-01  0.412322D+01 -0.218307D+01  0.769357D+00
                56            57            58            59            60 
      1  -0.717368D+01 -0.482328D+00 -0.666454D+01 -0.519536D+01  0.693850D+01
      2  -0.880929D+01 -0.313184D+00 -0.777076D+01 -0.115917D+01  0.539584D+01
      3   0.159830D+02  0.795512D+00  0.144353D+02  0.635453D+01 -0.123343D+02
      4  -0.143740D+01 -0.210724D+01 -0.104291D+01  0.177446D+01  0.353270D+01
      5   0.134985D+01 -0.137691D+02  0.299945D+01  0.719618D+01  0.100440D+02
      6   0.422814D+01  0.157688D+02  0.772357D+01  0.125747D+01  0.205147D+01
                61            62            63            64            65 
      1  -0.259321D+01  0.122385D+01 -0.223374D+01  0.103840D+02 -0.459218D+01
      2  -0.177554D+01  0.797836D+01 -0.123454D+01 -0.543271D+01  0.714502D+00
      3   0.436875D+01 -0.920221D+01  0.346827D+01 -0.495129D+01  0.387768D+01
      4  -0.668706D+01  0.110342D+00  0.422066D+01 -0.149105D+02  0.117153D+02
      5  -0.938266D+01  0.777742D+01  0.186870D+01 -0.120996D+02  0.664119D+01
      6   0.112132D+02 -0.139154D+01 -0.679272D+01  0.759879D+01 -0.630098D+01
                66            67            68            69            70 
      1  -0.401802D+01 -0.253475D+01 -0.333108D+01 -0.190914D+01 -0.564958D+01
      2   0.274992D+01 -0.118093D+01  0.781423D+01  0.293499D+01  0.489694D+01
      3   0.126810D+01  0.371568D+01 -0.448315D+01 -0.102585D+01  0.752645D+00
      4   0.857156D+01  0.136068D+02 -0.130466D+02 -0.108370D+02  0.135444D+02
      5   0.125908D+02  0.649893D+01 -0.904459D+01 -0.792318D+01  0.178558D+02
      6  -0.709057D+01 -0.739081D+01  0.107709D+02  0.104033D+02 -0.120201D+02
                71            72            73            74            75 
      1  -0.192143D+01 -0.314807D-02 -0.217639D+02  0.182329D+02  0.194729D+02
      2   0.229127D+01 -0.604076D+01  0.224130D+02 -0.571489D+01 -0.119243D+02
      3  -0.369842D+00  0.604391D+01 -0.649139D+00 -0.125181D+02 -0.754859D+01
      4  -0.148017D+02 -0.156202D+02  0.226569D+02  0.151994D+02 -0.713655D-03
      5  -0.115577D+02 -0.202129D+02  0.233291D+02 -0.470341D+01 -0.158694D+02
      6   0.135539D+02  0.176762D+02  0.435326D+01 -0.262231D+00 -0.396263D+01
                76            77            78            79            80 
      1   0.313575D+02  0.218809D+02 -0.953737D+01  0.232758D+02 -0.628653D+01
      2  -0.181236D+02 -0.310350D+02  0.115036D+02 -0.116274D+02  0.104927D+02
      3  -0.132340D+02  0.915408D+01 -0.196623D+01 -0.116484D+02 -0.420617D+01
      4   0.103298D+02 -0.270971D+02  0.940626D+01  0.333844D+01  0.104750D+02
      5  -0.630191D+01  0.109107D+02  0.405350D+01 -0.227465D+02 -0.458806D-01
      6   0.409544D+00  0.128503D+02 -0.899240D+00 -0.670434D+01 -0.180912D+01
                81            82            83            84            85 
      1  -0.172984D+02 -0.962309D+00  0.222845D+01 -0.233837D+01  0.204679D+01
      2   0.120766D+02 -0.291655D+01 -0.563149D+00  0.341071D+00 -0.690558D+00
      3   0.522180D+01  0.387886D+01 -0.166530D+01  0.199730D+01 -0.135624D+01
      4  -0.362523D+01  0.180109D+01  0.293711D+01 -0.910593D+00  0.413935D+01
      5  -0.265061D+02  0.141834D+00 -0.533290D+00  0.533997D+01 -0.370192D+00
      6  -0.129953D+02 -0.116103D+01  0.554355D+00 -0.659874D+00  0.435192D+00
                86            87            88            89            90 
      1  -0.355452D+01  0.317142D+01 -0.494992D+01  0.315369D+01 -0.204579D+02
      2   0.796229D+00 -0.725609D+00  0.109999D+01  0.144707D+01 -0.130694D+02
      3   0.275830D+01 -0.244581D+01  0.384993D+01 -0.460076D+01  0.335273D+02
      4   0.672926D+00 -0.255343D+01 -0.281182D+01 -0.423123D+01  0.199042D+01
      5  -0.216514D+01  0.266633D+01  0.429268D+01  0.345599D+01 -0.179620D+02
      6  -0.355989D+01  0.787998D+01  0.246712D+00  0.622307D+01 -0.120618D+02
                91            92            93            94            95 
      1   0.147935D+02  0.363399D+01 -0.219987D+01  0.591341D+00 -0.374476D+01
      2  -0.802910D+01  0.496323D+00  0.256463D+01  0.268992D+01  0.951982D+01
      3  -0.676443D+01 -0.413032D+01 -0.364756D+00 -0.328126D+01 -0.577506D+01
      4   0.228569D+02  0.179460D+02 -0.116855D+02  0.156581D+02  0.164180D+02
      5  -0.194381D+02 -0.118626D+02  0.152039D+02 -0.895640D+01 -0.966439D+01
      6  -0.123997D+02 -0.111963D+02  0.100004D+02 -0.981710D+01 -0.134588D+02
                96            97            98            99           100 
      1   0.188037D+01 -0.954669D+00  0.160724D+01 -0.240350D+01 -0.272708D+01
      2  -0.155385D+01  0.236140D+01  0.191273D+00 -0.503830D+01  0.484331D+01
      3  -0.326520D+00 -0.140673D+01 -0.179851D+01  0.744180D+01 -0.211623D+01
      4  -0.892706D+01 -0.979963D+01 -0.834195D+01  0.944912D+01 -0.193736D+02
      5   0.672982D+01  0.134915D+02  0.871587D+01 -0.117640D+02 -0.159853D+02
      6   0.100399D+02  0.947304D+01  0.100865D+02 -0.115600D+02 -0.167753D+02
               101           102           103           104           105 
      1  -0.199300D+02 -0.141360D+02 -0.234814D+02  0.282573D+01 -0.809107D+01
      2   0.493438D+01  0.302744D+01  0.571861D+01  0.879833D+01 -0.668843D+01
      3   0.149957D+02  0.111085D+02  0.177628D+02 -0.116241D+02  0.147795D+02
      4  -0.817484D+01 -0.184213D+01 -0.110792D+02  0.251795D+01 -0.147425D+02
      5  -0.116072D+02 -0.787877D+01 -0.119671D+02 -0.161480D+02  0.101028D+02
      6  -0.629917D+01  0.274148D+01 -0.974499D+01  0.673887D+01 -0.198067D+02
               106           107           108           109           110 
      1  -0.114663D+02 -0.358335D+01 -0.249904D+01 -0.230188D+02 -0.296728D+02
      2   0.268131D+01 -0.672896D+01 -0.537686D+01  0.167676D+02  0.176435D+02
      3   0.878498D+01  0.103123D+02  0.787590D+01  0.625119D+01  0.120292D+02
      4   0.266666D+01 -0.999857D+01  0.107347D+02 -0.281343D+02 -0.196188D+01
      5  -0.705855D+01  0.113284D+02  0.629119D+01 -0.107582D+02  0.740613D+01
      6   0.723640D+01 -0.136859D+02  0.136560D+02  0.595001D+01 -0.307745D+01
               111           112           113           114           115 
      1  -0.988590D+01 -0.392472D+02 -0.356238D+01  0.213991D+01 -0.114606D+02
      2   0.227545D+01  0.251311D+02 -0.714386D+01  0.634851D+01  0.125109D+01
      3   0.761046D+01  0.141161D+02  0.107062D+02 -0.848842D+01  0.102095D+02
      4   0.807795D+01 -0.100981D+02  0.170119D+02 -0.151643D+02  0.105860D+02
      5   0.132901D+01  0.903033D+01 -0.137879D+02  0.148811D+02 -0.260644D+01
      6   0.197196D+00 -0.450519D+01  0.895517D+01 -0.869471D+01  0.361610D+01
               116           117           118           119           120 
      1   0.235238D+01  0.662408D+01 -0.107093D+00  0.165917D+01 -0.320916D+00
      2   0.818566D+01 -0.643292D+01  0.401350D+01 -0.235596D+01 -0.607078D+00
      3  -0.105380D+02 -0.191154D+00 -0.390641D+01  0.696791D+00  0.927993D+00
      4  -0.164344D+02  0.165161D+02 -0.800573D-01  0.976315D+01 -0.105291D+01
      5   0.174430D+02  0.213730D+02  0.582280D+00  0.327930D+00  0.275187D+01
      6  -0.823035D+01 -0.905148D+01  0.161082D+00 -0.356257D+00 -0.721885D-03
               121           122           123           124           125 
      1   0.416894D+00 -0.293239D+02 -0.481527D+00 -0.637244D+00  0.107415D+00
      2   0.132736D+01  0.536047D+02 -0.494744D+00 -0.805482D+00 -0.159615D+01
      3  -0.174425D+01 -0.242808D+02  0.976270D+00  0.144273D+01  0.148874D+01
      4   0.815530D+01  0.132799D+01  0.280376D+00 -0.178574D+01 -0.561193D+00
      5   0.233594D+00  0.133269D+01  0.216708D+00  0.213670D+01  0.928935D-01
      6   0.416609D+00  0.529285D+01  0.655802D+01  0.710692D+00  0.812707D+01
               126           127           128           129           130 
      1  -0.422508D+01 -0.180980D+00  0.188326D+01  0.692382D+01  0.224650D+01
      2   0.379858D+01 -0.715733D+01  0.317347D+01  0.792941D+01  0.162715D+01
      3   0.426499D+00  0.733831D+01 -0.505674D+01 -0.148532D+02 -0.387365D+01
      4   0.282728D+00 -0.476388D+01  0.364119D+01  0.349346D+01  0.415159D+01
      5   0.108055D+01 -0.893474D+01  0.429518D+01  0.123127D+02  0.407428D+01
      6   0.604620D+00  0.528151D+01 -0.601946D+01 -0.771828D+01 -0.585567D+01
               131           132           133           134           135 
      1  -0.610858D+01 -0.930181D+01  0.411621D+01 -0.656588D+01 -0.171645D+02
      2  -0.167240D-01 -0.362432D+01  0.542069D+01 -0.436017D+01 -0.156502D+02
      3   0.612530D+01  0.129261D+02 -0.953690D+01  0.109261D+02  0.328147D+02
      4  -0.368311D+01 -0.341790D+01  0.314434D+01 -0.282729D+01 -0.451716D+01
      5  -0.507807D+01 -0.521447D+01  0.104688D+02 -0.516045D+01 -0.124531D+02
      6   0.111114D+02  0.130246D+02 -0.614704D+01  0.995075D+01  0.152261D+02
               136           137           138           139           140 
      1   0.177588D+01  0.166415D+01 -0.606948D+01  0.163903D+01 -0.161280D+01
      2  -0.107488D+02  0.142721D+01 -0.111400D+02  0.231475D+01  0.559333D+00
      3   0.897287D+01 -0.309136D+01  0.172095D+02 -0.395377D+01  0.105347D+01
      4   0.792266D+00  0.380848D+01 -0.227607D+00  0.352943D+01 -0.755195D+00
      5   0.189641D+02 -0.204514D+01  0.172278D+02 -0.377046D+01  0.253290D+01
      6  -0.252557D+01  0.400007D+01 -0.346313D+01  0.299931D+01 -0.382696D+01
               141           142           143           144           145 
      1   0.204375D+01 -0.251481D+01  0.717990D+00 -0.870153D+01 -0.781057D+01
      2   0.162884D+01 -0.780974D+01 -0.197075D+00 -0.120446D+02  0.169653D+01
      3  -0.367259D+01  0.103245D+02 -0.520915D+00  0.207461D+02  0.611404D+01
      4   0.113759D+01  0.320337D+00  0.136497D+01 -0.616052D+00  0.199277D+01
      5  -0.418467D+01  0.135681D+02 -0.213785D+01  0.140302D+02 -0.884337D+01
      6   0.567458D+01 -0.251471D+01  0.449443D+01 -0.168635D+01  0.654649D+01
               146           147           148           149           150 
      1   0.833248D+01  0.107655D+02  0.855560D+01 -0.851727D+01 -0.640526D+01
      2  -0.252315D+01  0.336834D+01 -0.348311D+01  0.332459D+01 -0.808155D+00
      3  -0.580933D+01 -0.141339D+02 -0.507249D+01  0.519268D+01  0.721341D+01
      4   0.485123D+00 -0.824848D+00  0.237759D+01  0.103017D+01  0.304638D+01
      5   0.403648D+01  0.173570D+01  0.566080D+01 -0.492819D+00 -0.630474D+00
      6  -0.578091D+01 -0.589106D+01 -0.369541D+01  0.708357D+01  0.927105D+01
               151           152           153           154           155 
      1   0.705275D+01 -0.570475D+01 -0.111084D+02  0.280339D+02  0.101248D+02
      2   0.128412D+01  0.401943D+00 -0.286102D+01 -0.163150D+02 -0.348352D+01
      3  -0.833687D+01  0.530281D+01  0.139694D+02 -0.117189D+02 -0.664127D+01
      4  -0.366054D+00  0.146941D+01  0.134363D+00  0.192310D+02  0.145349D+02
      5   0.527232D+01 -0.222467D+01 -0.259282D+01  0.280121D+02  0.126408D+02
      6  -0.507173D+01  0.782577D+01  0.584568D+01  0.122348D+02  0.984763D+01
               156           157           158           159           160 
      1   0.619170D+01  0.121427D+02  0.417871D+01  0.159793D+01  0.456364D+00
      2  -0.883722D+01 -0.434160D+01  0.255339D+00 -0.276224D+01 -0.398732D+01
      3   0.264552D+01 -0.780106D+01 -0.443405D+01  0.116431D+01  0.353095D+01
      4   0.714958D+01  0.165200D+02  0.145601D+02  0.807032D+01  0.225149D+01
      5   0.180681D+02  0.149500D+02  0.116187D+02  0.875876D+01  0.103189D+02
      6   0.592389D+01  0.104746D+02  0.989965D+01  0.921169D+01  0.360002D+01
               161           162           163           164           165 
      1  -0.110465D-01  0.163809D+01  0.169143D+01 -0.413023D+00  0.340763D+01
      2  -0.114663D+01 -0.406559D+01 -0.351308D+01  0.183613D+01 -0.426328D+01
      3   0.115767D+01  0.242750D+01  0.182165D+01 -0.142310D+01  0.855653D+00
      4   0.285906D+01  0.333193D+01 -0.181868D+01  0.541844D+01 -0.289997D+01
      5   0.416350D+01  0.742804D+01  0.759530D+01 -0.357628D+01  0.923697D+01
      6   0.555142D+01  0.285814D+01 -0.243291D+01  0.292730D+01 -0.242688D+01
               166           167           168           169           170 
      1  -0.121272D+00 -0.805209D+01  0.106796D+02  0.101489D+01  0.655212D+01
      2   0.320733D+01 -0.390602D+00  0.793280D+01 -0.467936D+01  0.526510D+01
      3  -0.308606D+01  0.844269D+01 -0.186124D+02  0.366448D+01 -0.118172D+02
      4   0.779343D+01 -0.133659D+02  0.106028D+02 -0.313097D+01  0.688509D+01
      5  -0.855999D+01  0.111541D+02 -0.157216D+02  0.931368D+01 -0.853828D+01
      6   0.658300D+01 -0.214772D+02  0.200063D+02 -0.399881D+01  0.142272D+02
               171           172           173           174           175 
      1  -0.118335D+02  0.208826D+01  0.124548D+01 -0.394089D+01  0.222319D+01
      2  -0.116664D+02 -0.306450D+01  0.193109D-01  0.304917D+01 -0.223002D+01
      3   0.235000D+02  0.976244D+00 -0.126479D+01  0.891715D+00  0.682458D-02
      4  -0.808858D+01  0.109715D+01  0.158127D+01  0.290034D+01  0.559235D+01
      5   0.152893D+02 -0.383170D+01  0.154237D+01  0.556483D+01  0.236084D+01
      6  -0.160046D+02  0.206428D+01 -0.347150D+00 -0.137807D+01 -0.162442D+01
               176           177           178           179           180 
      1  -0.187241D+01 -0.290012D+01 -0.945286D+01 -0.173525D+01 -0.661128D+01
      2   0.365359D+01  0.160048D+01  0.556261D+01  0.143396D+01 -0.495237D+01
      3  -0.178119D+01  0.129964D+01  0.389025D+01  0.301291D+00  0.115636D+02
      4  -0.845928D+01 -0.563785D+01  0.745832D+01 -0.885329D+01 -0.116295D+02
      5  -0.550707D+01 -0.991702D+01  0.122738D+02 -0.124143D+02 -0.339070D+02
      6   0.518145D+01  0.954550D+01 -0.436469D+01  0.995565D+01  0.172631D+02
               181           182           183           184           185 
      1   0.933558D+01 -0.421361D+01  0.397827D+01 -0.523693D+01 -0.294654D+01
      2  -0.189273D+01 -0.564343D+00 -0.806865D+00 -0.562930D+01  0.231899D+02
      3  -0.744285D+01  0.477796D+01 -0.317141D+01  0.108662D+02 -0.202434D+02
      4  -0.754276D+01  0.115199D+02 -0.515097D+01  0.219120D+02 -0.376138D+02
      5   0.447950D+01 -0.401902D+01  0.344778D+01 -0.609845D+01  0.119953D+02
      6  -0.305790D+01  0.143995D+01 -0.844642D+00  0.388689D+01 -0.984173D+01
               186           187           188           189           190 
      1   0.152116D+01  0.885188D+01  0.697247D+00 -0.194032D+01  0.686838D+02
      2  -0.711009D+01 -0.135355D+01 -0.851368D+01  0.331945D+01 -0.373842D+02
      3   0.558893D+01 -0.749833D+01  0.781643D+01 -0.137913D+01 -0.312996D+02
      4   0.128338D+02 -0.123486D+02  0.181658D+02 -0.118218D+02  0.809659D+01
      5  -0.116972D+02  0.766823D+01 -0.119943D+02  0.980133D+01 -0.807063D+00
      6   0.913898D+01 -0.471075D+01  0.980636D+01 -0.783921D+01 -0.153124D+01
               191           192           193           194           195 
      1   0.166490D+02  0.197253D+01  0.352912D+02  0.122454D+02  0.574327D+00
      2  -0.106273D+02 -0.793073D+00 -0.195577D+02 -0.521200D+01 -0.936476D+00
      3  -0.602172D+01 -0.117946D+01 -0.157336D+02 -0.703342D+01  0.362149D+00
      4   0.112985D+02  0.456706D-01  0.135311D+02  0.105387D+02  0.218085D+01
      5  -0.583230D+00  0.829156D+01 -0.176449D+01  0.139877D+01  0.473884D+01
      6  -0.629786D+00 -0.952457D+00 -0.723398D+00 -0.169803D+01  0.151617D+01
               196           197           198           199           200 
      1   0.629279D+01  0.331880D+00  0.580094D+01  0.244302D+02 -0.373596D+01
      2  -0.270405D+01 -0.153681D+01 -0.389132D+01 -0.126201D+02  0.267310D-01
      3  -0.358874D+01  0.120493D+01 -0.190963D+01 -0.118102D+02  0.370923D+01
      4  -0.986696D+00  0.318801D+01  0.324346D+00 -0.149658D+02  0.998010D+01
      5   0.102768D+02  0.118055D+01 -0.903306D-01  0.132935D+02 -0.240696D+01
      6  -0.401769D+00  0.196918D+01  0.890948D+00 -0.502160D+01  0.798698D+00
               201           202           203           204           205 
      1   0.104009D+02 -0.642442D+00  0.269420D+01  0.517033D+00  0.162897D+02
      2  -0.586114D+01 -0.127305D+01 -0.765526D+00 -0.936118D+00 -0.990130D+01
      3  -0.453981D+01  0.191549D+01 -0.192867D+01  0.419086D+00 -0.638838D+01
      4  -0.637202D+01  0.792232D+01 -0.332134D+01  0.331540D+01 -0.956518D+01
      5   0.113411D+02 -0.567738D+00  0.330348D+01 -0.222063D+01  0.140273D+02
      6  -0.460711D+01  0.174369D+01 -0.156569D+01  0.367847D+01 -0.652441D+01
               206           207           208           209           210 
      1   0.104620D+00  0.755748D+01 -0.155132D+01  0.469649D+01 -0.288198D+01
      2  -0.208139D+01 -0.670244D+01  0.512523D+01 -0.869522D+01  0.405723D+01
      3   0.197677D+01 -0.855040D+00 -0.357391D+01  0.399872D+01 -0.117525D+01
      4   0.697779D+01 -0.962083D+01 -0.692662D+01  0.123103D+02 -0.494489D+01
      5  -0.534804D+01  0.133383D+02  0.229243D+01 -0.388783D+01  0.422654D+01
      6   0.391812D+01 -0.613757D+01 -0.529795D+01  0.710160D+01 -0.375109D+01
               211           212           213           214           215 
      1   0.348987D+01 -0.303601D+02  0.128485D+02 -0.384633D+01  0.200208D+02
      2  -0.696547D+01  0.460812D+02 -0.165595D+02  0.565356D+01 -0.245701D+02
      3   0.347560D+01 -0.157211D+02  0.371100D+01 -0.180723D+01  0.454935D+01
      4   0.808769D+01 -0.119278D+02  0.587872D+01 -0.500438D+01  0.868264D+01
      5  -0.226611D+01  0.478143D+01 -0.261644D+01  0.375706D+01 -0.479592D+01
      6   0.547121D+01 -0.255848D+02  0.177164D+02 -0.421402D+01  0.256225D+02
               216           217           218           219           220 
      1  -0.157018D+02 -0.132880D+01 -0.511826D+01 -0.332825D+01 -0.320475D+01
      2   0.134351D+02  0.346367D+01  0.107415D+02  0.527254D+01  0.635560D+01
      3   0.226674D+01 -0.213487D+01 -0.562320D+01 -0.194429D+01 -0.315085D+01
      4  -0.485049D+01  0.789081D+01  0.845696D+01  0.536615D+01  0.587791D+01
      5   0.433631D+01  0.295145D+01  0.204724D+01  0.377246D+01  0.133999D+01
      6  -0.202965D+02  0.597162D+01  0.601330D+01  0.494512D+01  0.521423D+01
               221           222           223           224           225 
      1  -0.161880D+02 -0.685212D+01 -0.585475D+01 -0.121988D+02 -0.116330D+02
      2   0.251866D+02  0.993067D+01  0.556150D+01  0.170958D+02  0.112000D+02
      3  -0.899855D+01 -0.307855D+01  0.293254D+00 -0.489700D+01  0.433058D+00
      4   0.653536D+01  0.431252D+01  0.647946D+01  0.551768D+01  0.493187D+01
      5   0.228785D+01  0.108068D+01  0.369788D+01  0.165598D+01  0.304534D+01
      6   0.114583D+02  0.127205D+02  0.619963D+01  0.176802D+02  0.171545D+02
               226           227           228           229           230 
      1   0.104184D+02 -0.714875D+00  0.540286D+01 -0.550760D+01 -0.217529D+01
      2  -0.806190D+01  0.348829D+00 -0.384210D+01  0.378970D+01  0.318223D+01
      3  -0.235648D+01  0.366046D+00 -0.156076D+01  0.171789D+01 -0.100693D+01
      4   0.157345D+01  0.115942D+01  0.304225D+01  0.206009D+01  0.359393D+01
      5   0.639660D+01  0.166811D+01  0.122953D+02  0.771597D+00  0.343349D+01
      6   0.256795D+01  0.689469D+00  0.359376D+01  0.129231D+01  0.706436D+00
               231           232           233           234           235 
      1  -0.142556D+00  0.134704D+02  0.167634D+01  0.550975D+01  0.683626D+02
      2   0.105659D+01 -0.803254D+01  0.121441D+01 -0.116774D+02 -0.397886D+02
      3  -0.914033D+00 -0.543787D+01 -0.289074D+01  0.616761D+01 -0.285740D+02
      4   0.397831D+01  0.914939D+01  0.925282D+01  0.581646D+01  0.657421D+01
      5  -0.983110D-01  0.180650D+02  0.408102D+01  0.379679D+02 -0.266178D+02
      6   0.384953D+01  0.618000D+01  0.506951D+01  0.168615D+02 -0.430181D+01
               236           237           238           239           240 
      1  -0.677240D+01 -0.193364D+02 -0.223819D+02  0.525352D+01  0.602940D+01
      2   0.573058D+01  0.130200D+02  0.139757D+02 -0.172689D+01 -0.546028D+01
      3   0.104183D+01  0.631644D+01  0.840622D+01 -0.352664D+01 -0.569114D+00
      4   0.851913D+01 -0.144949D+01  0.627824D+01 -0.299152D+01 -0.418371D+01
      5   0.239890D+01  0.177865D+02  0.808656D+01 -0.527518D+01 -0.656077D+01
      6  -0.918198D+00  0.375199D+01 -0.650094D+00 -0.353667D+00  0.616968D+00
               241           242           243           244           245 
      1  -0.260947D+02  0.237947D+01  0.134476D+02  0.133379D+01  0.579338D+01
      2   0.176480D+02 -0.392255D+01 -0.123983D+02  0.141530D+01 -0.460512D+01
      3   0.844663D+01  0.154308D+01 -0.104935D+01 -0.274909D+01 -0.118825D+01
      4  -0.395011D+01 -0.701687D+01  0.104930D+01  0.232682D+01  0.435301D+01
      5   0.227867D+02 -0.181359D+01 -0.135902D+02 -0.270081D+01 -0.592934D+00
      6   0.413786D+01  0.221759D+01 -0.143345D+01 -0.212833D+01  0.510599D+00
               246           247           248           249           250 
      1  -0.332614D+01  0.499497D+01 -0.214166D+02  0.488289D+01 -0.521492D+01
      2   0.184830D+01  0.343486D+01  0.455296D+02 -0.709670D+01  0.192027D+01
      3   0.147784D+01 -0.842982D+01 -0.241129D+02  0.221381D+01  0.329466D+01
      4  -0.118572D+01  0.167746D+02  0.484027D+02 -0.838107D+01 -0.452205D+01
      5   0.184948D+01 -0.223596D+01 -0.883212D+01  0.748881D+01  0.551652D+01
      6  -0.553469D+00 -0.262161D+01 -0.133809D+02  0.941917D+01  0.248874D+01
               251           252 
      1   0.512437D+01 -0.222796D+01
      2  -0.754793D+01  0.318091D+01
      3   0.242356D+01 -0.952954D+00
      4  -0.103721D+02  0.677251D+01
      5   0.692575D+01 -0.222001D+01
      6   0.102225D+02 -0.450590D+01
 Leave Link  716 at Fri Jul 16 13:55:00 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.126819D+03 -0.341357D-01  0.612558D+00
      2  -0.341357D-01  0.113063D+03 -0.652093D-01
      3   0.612558D+00 -0.652093D-01  0.108855D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.256013D+01  0.103886D+01  0.266061D+01
      2   0.326873D+01 -0.926736D+00  0.661935D+01
      3   0.405134D+01  0.276135D+01 -0.163461D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.423488D+01 -0.220055D+02  0.112575D+02
      2  -0.702896D+01  0.107558D+02 -0.399695D+01
      3   0.112638D+02  0.112497D+02 -0.726052D+01
      4  -0.301701D+02 -0.100805D+02  0.295034D+01
      5   0.185517D+02  0.200544D+01  0.171096D+02
      6   0.970544D+00  0.444462D+01 -0.387577D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.111071D+01 -0.285586D+01  0.106513D+01 -0.339462D+01  0.221301D+00
      2  -0.285586D+01 -0.479232D+00  0.126302D+01  0.221301D+00  0.306010D+01
      3   0.106513D+01  0.126302D+01  0.294601D+01  0.173687D+01 -0.135689D+01
                 6             7             8             9            10 
      1   0.173687D+01  0.599703D+00  0.221276D+01  0.436041D+01 -0.232963D+00
      2  -0.135689D+01  0.221276D+01 -0.212899D+01 -0.225880D+01  0.359612D+01
      3  -0.163446D+01  0.436041D+01 -0.225880D+01 -0.373904D+00  0.149812D+01
                11            12            13            14            15 
      1   0.359612D+01  0.149812D+01  0.461734D+01  0.626956D+00  0.175404D+00
      2   0.147765D+01 -0.212013D+00  0.626956D+00 -0.519845D+01  0.558044D+00
      3  -0.212013D+00 -0.207723D+01  0.175404D+00  0.558044D+00  0.116493D+01
                16            17            18            19            20 
      1   0.246678D+01 -0.757610D-01 -0.236099D+01  0.908148D+00  0.161821D+01
      2  -0.757610D-01  0.151108D+01  0.129494D+01  0.161821D+01  0.689173D+00
      3  -0.236099D+01  0.129494D+01 -0.639189D+01 -0.758141D+00 -0.331321D+01
                21            22            23            24            25 
      1  -0.758141D+00  0.218226D+01  0.623774D+00 -0.323290D+01 -0.562252D+00
      2  -0.331321D+01  0.623774D+00 -0.407669D+01  0.153025D+01 -0.396170D+01
      3  -0.725603D+00 -0.323290D+01  0.153025D+01 -0.256555D+01 -0.782167D+00
                26            27            28            29            30 
      1  -0.396170D+01 -0.782167D+00 -0.289060D+01 -0.242824D+01  0.826744D+00
      2   0.205753D+01 -0.415098D+01 -0.242824D+01 -0.215050D+01  0.474341D+01
      3  -0.415098D+01 -0.419988D+00  0.826744D+00  0.474341D+01 -0.147427D+01
                31            32            33            34            35 
      1  -0.263144D+01 -0.189226D+01  0.487000D+01  0.836956D+00  0.547309D+01
      2  -0.189226D+01  0.158933D+01  0.647193D+00  0.547309D+01 -0.823599D+00
      3   0.487000D+01  0.647193D+00  0.286989D+01 -0.176561D+01  0.227720D+01
                36            37            38            39            40 
      1  -0.176561D+01  0.518425D+01  0.507186D+01  0.328921D+01  0.603384D+01
      2   0.227720D+01  0.507186D+01  0.167736D+01 -0.170943D+01  0.265589D+01
      3  -0.896626D+00  0.328921D+01 -0.170943D+01  0.750595D+00 -0.245578D+01
                41            42            43            44            45 
      1   0.265589D+01 -0.245578D+01  0.471818D+01 -0.212653D+01  0.184840D+00
      2  -0.326457D+01  0.308898D+01 -0.212653D+01  0.460089D+01 -0.280373D+01
      3   0.308898D+01 -0.259868D+01  0.184840D+00 -0.280373D+01 -0.214568D+01
                46            47            48            49            50 
      1  -0.430590D+01 -0.344225D+01 -0.287425D+01 -0.416706D+01 -0.136029D+00
      2  -0.344225D+01 -0.463917D+00 -0.192917D+00 -0.136029D+00  0.872523D+01
      3  -0.287425D+01 -0.192917D+00 -0.145786D+01 -0.143371D+00 -0.855944D+00
                51            52            53            54            55 
      1  -0.143371D+00 -0.588094D+01 -0.571994D+00 -0.160016D+00  0.174833D+01
      2  -0.855944D+00 -0.571994D+00 -0.715364D+00 -0.194374D+01 -0.271480D+00
      3  -0.277624D+01 -0.160016D+00 -0.194374D+01  0.385242D+01  0.361773D+01
                56            57            58            59            60 
      1  -0.271480D+00  0.361773D+01 -0.532431D+00 -0.191008D+01 -0.337693D+01
      2  -0.178001D+01 -0.351409D+01 -0.191008D+01 -0.148885D+01 -0.167555D+01
      3  -0.351409D+01  0.768303D+00 -0.337693D+01 -0.167555D+01  0.260093D+01
                61            62            63            64            65 
      1   0.295343D+01 -0.258652D+01  0.655293D+00 -0.298814D+01  0.179072D+01
      2  -0.258652D+01 -0.134759D+01  0.212792D+01  0.179072D+01 -0.131498D+01
      3   0.655293D+00  0.212792D+01 -0.270939D+00  0.179147D+01 -0.108614D+01
                66            67            68            69            70 
      1   0.179147D+01  0.179199D+01 -0.169341D+01 -0.124060D+01  0.304477D+01
      2  -0.108614D+01 -0.169341D+01  0.233806D+01  0.194324D+01 -0.183560D+01
      3  -0.186260D+01 -0.124060D+01  0.194324D+01  0.169446D+01 -0.312627D+01
                71            72            73            74            75 
      1  -0.183560D+01 -0.312627D+01  0.217190D+01 -0.388202D+01 -0.289337D+01
      2   0.268896D+01  0.246067D+01 -0.388202D+01 -0.186942D+01  0.636924D+00
      3   0.246067D+01  0.422235D+01 -0.289337D+01  0.636924D+00  0.238966D+01
                76            77            78            79            80 
      1  -0.555828D+01 -0.329415D+00  0.545960D+00 -0.377508D+01  0.279547D+00
      2  -0.329415D+00  0.668688D+01 -0.208442D+01  0.279547D+00 -0.230948D+01
      3   0.545960D+00 -0.208442D+01 -0.573199D+00  0.317922D+01 -0.267292D-02
                81            82            83            84            85 
      1   0.317922D+01  0.706378D+00 -0.551569D+00  0.103330D+01 -0.833023D+00
      2  -0.267292D-02 -0.551569D+00 -0.120632D+00 -0.486627D-02 -0.186180D+00
      3   0.487195D+01  0.103330D+01 -0.486627D-02  0.643524D+00  0.113500D+00
                86            87            88            89            90 
      1  -0.186180D+00  0.113500D+00  0.212269D+01  0.312438D+00  0.420748D+00
      2  -0.339062D+00  0.114962D+01  0.312438D+00  0.120812D+01 -0.124904D+01
      3   0.114962D+01 -0.114551D+01  0.420748D+00 -0.124904D+01  0.800608D+01
                91            92            93            94            95 
      1   0.588984D+01  0.311097D+01 -0.254819D+01  0.249566D+01  0.230379D+01
      2   0.311097D+01  0.295074D+01 -0.200027D+01  0.230379D+01  0.360941D+01
      3  -0.254819D+01 -0.200027D+01  0.226387D+01 -0.169808D+01 -0.167087D+01
                96            97            98            99           100 
      1  -0.169808D+01 -0.199678D+01 -0.169357D+01  0.226454D+01 -0.190317D+01
      2  -0.167087D+01 -0.169357D+01 -0.146822D+01  0.163736D+01 -0.481266D+01
      3   0.127062D+01  0.226454D+01  0.163736D+01 -0.253931D+01 -0.334616D+01
               101           102           103           104           105 
      1  -0.481266D+01 -0.334616D+01 -0.529049D+01 -0.187776D+01  0.124135D+01
      2  -0.114145D+01  0.935616D+00 -0.187776D+01  0.117952D+01 -0.418821D+01
      3   0.935616D+00  0.558174D+00  0.124135D+01 -0.418821D+01  0.292495D+01
               106           107           108           109           110 
      1  -0.294414D+01  0.146116D+01  0.471284D+00 -0.261566D+01 -0.459694D+01
      2   0.146116D+01 -0.335006D+01  0.264367D+01 -0.459694D+01 -0.895628D+00
      3   0.471284D+00  0.264367D+01  0.131670D+01 -0.213420D+01  0.129606D+01
               111           112           113           114           115 
      1  -0.213420D+01 -0.576214D+01 -0.270663D+01  0.167424D+01 -0.243764D+01
      2   0.129606D+01 -0.270663D+01  0.344705D+01 -0.268017D+01  0.148821D+01
      3   0.384049D+00  0.167424D+01 -0.268017D+01  0.280162D+01 -0.554835D+00
               116           117           118           119           120 
      1   0.148821D+01 -0.554835D+00  0.115626D+00 -0.109184D+01  0.500268D+00
      2  -0.321204D+01  0.341551D+01 -0.109184D+01  0.505050D+00 -0.107466D+00
      3   0.341551D+01  0.439890D+01  0.500268D+00 -0.107466D+00  0.120456D+00
               121           122           123           124           125 
      1  -0.160192D+01 -0.338168D+00  0.138833D+00  0.835575D+00  0.115970D+00
      2  -0.338168D+00 -0.108792D+02  0.111148D+00  0.115970D+00  0.304112D+00
      3   0.138833D+00  0.111148D+00 -0.813584D+00 -0.114647D+00 -0.115181D+01
               126           127           128           129           130 
      1  -0.114647D+00  0.221526D+01 -0.104956D+01 -0.203303D+01 -0.116801D+01
      2  -0.115181D+01 -0.104956D+01  0.129577D+01  0.127404D+01  0.109914D+01
      3  -0.867570D-01 -0.203303D+01  0.127404D+01  0.284315D+01  0.118417D+01
               131           132           133           134           135 
      1   0.109914D+01  0.118417D+01 -0.173872D+01  0.947540D+00  0.210741D+01
      2  -0.179754D+01 -0.174998D+01  0.947540D+00 -0.153626D+01 -0.230063D+01
      3  -0.174998D+01 -0.286234D+01  0.210741D+01 -0.230063D+01 -0.591735D+01
               136           137           138           139           140 
      1  -0.492488D+01  0.391687D+00 -0.317312D+01  0.914514D+00 -0.727566D+00
      2   0.391687D+00 -0.808958D+00  0.647706D+00 -0.727566D+00  0.701776D+00
      3  -0.317312D+01  0.647706D+00 -0.379537D+01  0.101699D+01 -0.734188D+00
               141           142           143           144           145 
      1   0.101699D+01 -0.220130D+01  0.480449D+00 -0.241185D+01 -0.361863D+01
      2  -0.734188D+00  0.480449D+00 -0.439318D+00  0.148686D+00  0.176672D+01
      3   0.912611D+00 -0.241185D+01  0.148686D+00 -0.404916D+01  0.120758D+01
               146           147           148           149           150 
      1   0.176672D+01  0.120758D+01  0.201873D+01 -0.105212D+01 -0.669404D+00
      2  -0.139235D+01 -0.976337D+00 -0.105212D+01  0.169423D+01  0.146224D+01
      3  -0.976337D+00 -0.257587D+01 -0.669404D+00  0.146224D+01  0.145998D+01
               151           152           153           154           155 
      1   0.131398D+01 -0.736930D+00 -0.136373D+01  0.649297D+01  0.300565D+01
      2  -0.736930D+00  0.122897D+01  0.932861D+00  0.300565D+01  0.226141D+01
      3  -0.136373D+01  0.932861D+00  0.220380D+01  0.271427D+01  0.107077D+01
               156           157           158           159           160 
      1   0.271427D+01  0.360581D+01  0.251407D+01  0.128671D+01  0.860648D+00
      2   0.107077D+01  0.251407D+01  0.250168D+01  0.165525D+01  0.330941D+00
      3   0.233307D+01  0.128671D+01  0.165525D+01  0.121587D+01  0.120552D+01
               161           162           163           164           165 
      1   0.330941D+00  0.120552D+01  0.104411D+01 -0.383765D+00  0.138116D+01
      2   0.611876D+00  0.546677D+00 -0.383765D+00  0.614691D+00 -0.442417D+00
      3   0.546677D+00  0.888555D+00  0.138116D+01 -0.442417D+00  0.797648D+00
               166           167           168           169           170 
      1  -0.112395D+01  0.131447D+01 -0.139046D+01  0.114396D+01 -0.730486D+00
      2   0.131447D+01 -0.405609D+01  0.330573D+01 -0.730486D+00  0.212877D+01
      3  -0.139046D+01  0.330573D+01 -0.461026D+01  0.116256D+01 -0.261995D+01
               171           172           173           174           175 
      1   0.116256D+01  0.123228D+00  0.239023D+00 -0.880560D+00  0.921699D-01
      2  -0.261995D+01  0.239023D+00  0.306878D-01  0.117060D+00  0.759879D+00
      3   0.458967D+01 -0.880560D+00  0.117060D+00  0.292199D+00  0.301421D+00
               176           177           178           179           180 
      1   0.759879D+00  0.301421D+00 -0.218454D+01  0.823971D+00  0.133658D+01
      2  -0.161121D+01 -0.114605D+01  0.823971D+00 -0.152475D+01 -0.225467D+01
      3  -0.114605D+01 -0.185372D+01  0.133658D+01 -0.225467D+01 -0.644730D+01
               181           182           183           184           185 
      1   0.158291D+01 -0.907999D+00  0.790193D+00 -0.209903D+01  0.308373D+01
      2  -0.907999D+00  0.888598D+00 -0.488175D+00  0.308373D+01 -0.657464D+01
      3   0.790193D+00 -0.488175D+00  0.234841D+00 -0.972217D+00  0.227339D+01
               186           187           188           189           190 
      1  -0.972217D+00  0.221852D+01 -0.164140D+01  0.112193D+01  0.916626D+01
      2   0.227339D+01 -0.164140D+01  0.319923D+01 -0.216679D+01  0.202934D+01
      3  -0.195581D+01  0.112193D+01 -0.216679D+01  0.169216D+01  0.306289D+00
               191           192           193           194           195 
      1   0.202934D+01  0.306289D+00  0.531292D+01  0.208987D+01 -0.111793D+00
      2   0.151387D+01  0.153097D-01  0.208987D+01  0.146936D+01  0.353597D+00
      3   0.153097D-01  0.802337D+00 -0.111793D+00  0.353597D+00  0.536319D+00
               196           197           198           199           200 
      1   0.102184D+01 -0.106701D+00  0.120393D+01 -0.453759D+01  0.105162D+01
      2  -0.106701D+00  0.536225D+00  0.369650D-01  0.105162D+01 -0.124426D+01
      3   0.120393D+01  0.369650D-01 -0.925539D-01 -0.213484D+01  0.401120D+00
               201           202           203           204           205 
      1  -0.213484D+01  0.691932D+00 -0.855444D+00  0.128471D+00 -0.342931D+01
      2   0.401120D+00 -0.855444D+00  0.157728D+00 -0.465424D+00  0.264517D+00
      3  -0.175821D+01  0.128471D+00 -0.465424D+00  0.379398D+00 -0.220289D+01
               206           207           208           209           210 
      1   0.264517D+00 -0.220289D+01 -0.127382D+01  0.136538D+01 -0.716545D+00
      2  -0.133169D+01  0.932393D+00  0.136538D+01 -0.175913D+01  0.105375D+01
      3   0.932393D+00 -0.252201D+01 -0.716545D+00  0.105375D+01 -0.422955D+00
               211           212           213           214           215 
      1   0.102452D+01 -0.139996D+01  0.771801D+00 -0.118601D+01  0.135462D+01
      2  -0.139996D+01  0.780521D+01 -0.314889D+01  0.135462D+01 -0.494746D+01
      3   0.771801D+00 -0.314889D+01  0.219159D+01 -0.552725D+00  0.352363D+01
               216           217           218           219           220 
      1  -0.552725D+00  0.172099D+01  0.929679D+00  0.120053D+01  0.755633D+00
      2   0.352363D+01  0.929679D+00  0.193541D+01  0.120656D+01  0.110788D+01
      3  -0.304185D+01  0.120053D+01  0.120656D+01  0.125322D+01  0.815038D+00
               221           222           223           224           225 
      1   0.110788D+01  0.815038D+00  0.162396D+01  0.112557D+01  0.125241D+01
      2   0.432249D+01  0.190378D+01  0.112557D+01  0.322953D+01  0.275730D+01
      3   0.190378D+01  0.182155D+01  0.125241D+01  0.275730D+01  0.342092D+01
               226           227           228           229           230 
      1  -0.144659D+01  0.199782D+00 -0.101000D+01  0.849767D+00 -0.275347D+00
      2   0.199782D+00 -0.565605D-02 -0.233869D+00 -0.275347D+00 -0.673628D+00
      3  -0.101000D+01 -0.233869D+00 -0.133144D+01 -0.126262D+00 -0.624702D+00
               231           232           233           234           235 
      1  -0.126262D+00 -0.279782D+01 -0.969982D+00 -0.227571D+01 -0.928740D+01
      2  -0.624702D+00 -0.969982D+00 -0.139073D+01 -0.648027D+00  0.639842D+00
      3   0.382392D-01 -0.227571D+01 -0.648027D+00 -0.625226D+01  0.284911D+01
               236           237           238           239           240 
      1   0.639842D+00  0.284911D+01  0.342418D+01 -0.101944D+01 -0.861176D+00
      2  -0.994825D+00 -0.296527D+00 -0.101944D+01  0.320615D+00  0.727231D+00
      3  -0.296527D+00 -0.184279D+01 -0.861176D+00  0.727231D+00  0.790405D+00
               241           242           243           244           245 
      1   0.426397D+01 -0.694626D-01 -0.258427D+01 -0.155567D+00 -0.532402D+00
      2  -0.694626D-01  0.110075D+01  0.223849D+00 -0.532402D+00  0.580515D+00
      3  -0.258427D+01  0.223849D+00  0.148449D+01  0.431299D+00 -0.836075D-01
               246           247           248           249           250 
      1   0.431299D+00 -0.164885D+01 -0.200093D+01  0.278213D+00  0.110957D+01
      2  -0.836075D-01 -0.200093D+01 -0.964874D+01  0.167160D+01  0.435839D+00
      3  -0.569045D-01  0.278213D+00  0.167160D+01 -0.128401D+01 -0.670954D+00
               251           252 
      1   0.435839D+00 -0.670954D+00
      2   0.211955D+01 -0.140878D+01
      3  -0.140878D+01  0.499569D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.462875D+01 -0.350776D+01 -0.344967D+01 -0.388256D+01  0.666655D+01
      2  -0.320097D+01 -0.228270D+01 -0.636899D+01 -0.283481D+01  0.314106D+01
      3  -0.809643D+01 -0.997426D+01  0.608697D+01 -0.325440D+01  0.679671D+01
                 6             7             8             9            10 
      1   0.767939D+00 -0.463726D+01  0.578840D+01 -0.308450D+00  0.425399D+01
      2   0.407779D+01 -0.150115D+02  0.523430D+01  0.617938D-01 -0.354926D+01
      3  -0.105210D+00  0.758539D+01 -0.493285D+00  0.533212D+00  0.822891D+01
                11            12            13            14            15 
      1   0.240841D+01 -0.143554D+01  0.197394D+01 -0.387877D+01 -0.102923D+01
      2  -0.117169D+01  0.483863D+01 -0.173134D+01 -0.240712D+01 -0.198042D+01
      3  -0.442911D+01 -0.237329D+01  0.301632D+01 -0.114038D+02  0.137500D+01
                16            17            18            19            20 
      1  -0.571614D+00  0.624212D+01 -0.479709D+01  0.213284D+01  0.103313D+02
      2   0.734708D+00 -0.221491D+01  0.149767D+02 -0.205599D+01  0.134747D+01
      3  -0.266021D+01  0.294556D+01  0.198140D+01  0.330529D+01  0.418734D+01
                21            22            23            24            25 
      1   0.281988D+01  0.101331D+02 -0.324150D+01  0.567459D+01  0.423315D+01
      2   0.216846D+01  0.157963D+01  0.539429D-01 -0.429883D+00 -0.217822D+01
      3  -0.255178D+01  0.108969D+02  0.339254D+00 -0.829071D+01 -0.295478D+01
                26            27            28            29            30 
      1   0.142858D+02  0.379875D+01  0.905905D+00 -0.749685D+01 -0.521732D+01
      2  -0.146855D+01  0.156422D+01 -0.333267D+00  0.393649D+01  0.160396D+01
      3  -0.928975D+01 -0.258717D+01  0.198238D+01 -0.543968D+01 -0.201219D+01
                31            32            33            34            35 
      1  -0.702497D+01 -0.281660D+01 -0.788242D+01 -0.368909D+01 -0.707289D+00
      2   0.381005D+01  0.163214D+00  0.860930D+01 -0.527465D+01  0.102029D+02
      3   0.103760D+01 -0.398042D+01  0.602969D+01 -0.438687D+01  0.779225D+01
                36            37            38            39            40 
      1  -0.305054D+01  0.461523D+01  0.439459D+00 -0.452377D-01  0.205901D+01
      2  -0.200185D+01  0.522037D+01 -0.447926D+01  0.409916D+01 -0.642961D+01
      3  -0.383526D+01 -0.125429D+02 -0.109630D+02  0.174299D+01 -0.276203D+01
                41            42            43            44            45 
      1   0.866093D+00 -0.428319D+01 -0.933354D+00  0.494893D+01 -0.366141D+01
      2   0.682451D+01 -0.661225D+01 -0.703874D+01 -0.680528D+01 -0.627044D+01
      3   0.402869D+01 -0.528395D+01  0.118886D+01 -0.889975D+01  0.685403D+01
                46            47            48            49            50 
      1  -0.582691D+01 -0.767895D+00 -0.112675D+01  0.170055D+00 -0.705911D-02
      2  -0.210586D+01 -0.118417D+01  0.743251D+00 -0.244633D+00  0.415434D+00
      3   0.516489D+01  0.255305D+01  0.315816D+01  0.108291D+02  0.342378D+01
                51            52            53            54            55 
      1  -0.757501D+01 -0.277425D+01 -0.166982D+01  0.927488D+01  0.268422D+01
      2   0.217441D+01 -0.591478D+01 -0.350378D+00 -0.256226D+01  0.540252D+01
      3   0.520644D+00  0.671705D+01  0.472940D+00 -0.659943D+00 -0.555110D+00
                56            57            58            59            60 
      1   0.576651D+01  0.101019D+02  0.249587D+01  0.270660D+01  0.489198D+01
      2  -0.226570D+01  0.138394D+02 -0.234791D+01 -0.714977D+01 -0.106878D+02
      3  -0.159744D+01 -0.240975D+01  0.274877D+01  0.130222D+01  0.175464D+01
                61            62            63            64            65 
      1   0.878072D+01  0.805336D+01 -0.749999D+01 -0.178495D+01  0.407319D+00
      2   0.576211D+01 -0.751150D+01  0.806078D+00 -0.201772D+01  0.163424D+01
      3  -0.131773D+01  0.147503D+01  0.817199D-01 -0.114081D+01 -0.181294D+01
                66            67            68            69            70 
      1   0.287535D+01  0.140958D+01 -0.116816D+01 -0.298767D+01  0.382690D+01
      2   0.468116D+01  0.129027D+01 -0.354679D+01 -0.378652D+01  0.299868D+01
      3   0.229473D+00  0.166442D+01  0.252042D+01  0.145367D+01  0.176695D+01
                71            72            73            74            75 
      1   0.158865D+00 -0.600512D+01 -0.585956D+01 -0.509234D+00  0.363378D+01
      2  -0.415955D+01 -0.829258D+01  0.101671D+02 -0.185211D+00 -0.525135D+01
      3   0.426783D+01  0.199404D+00 -0.172592D+02 -0.162844D+01  0.629376D+01
                76            77            78            79            80 
      1  -0.427290D-01 -0.277049D+01 -0.242672D+01  0.544406D+01  0.178565D+01
      2  -0.265303D+00  0.685420D+01  0.135154D+01 -0.130361D+02 -0.139277D+01
      3   0.103832D+02  0.237164D+02 -0.815687D+01  0.635486D+01 -0.765583D+01
                81            82            83            84            85 
      1   0.746854D+01  0.551511D+00 -0.220565D+00  0.691124D+00 -0.109269D+00
      2  -0.171938D+02 -0.370534D+01  0.441454D-01 -0.165965D+01  0.329458D+00
      3  -0.448808D+01 -0.204459D+01 -0.250796D+00 -0.455058D+00  0.240361D+01
                86            87            88            89            90 
      1   0.545346D+00 -0.611235D+00  0.105813D+01  0.293317D+01  0.466269D+01
      2  -0.171749D+01  0.150537D+01 -0.695331D+01  0.132076D+01 -0.146569D+02
      3   0.510924D+00  0.202059D+01 -0.144659D+01  0.207606D+01 -0.143397D+01
                91            92            93            94            95 
      1  -0.382726D+00 -0.166036D+01 -0.188538D+01 -0.529894D+00 -0.274026D+01
      2   0.425158D+01  0.855030D+00  0.237193D+01  0.174798D+01  0.701676D+00
      3   0.551038D+01 -0.239510D+01 -0.787608D+00  0.315023D+01 -0.177561D+01
                96            97            98            99           100 
      1  -0.159514D+01 -0.105367D+01  0.168290D+01  0.250883D+01 -0.101764D+02
      2   0.833786D+00 -0.158786D+01 -0.388586D+00 -0.145732D+01 -0.243941D+01
      3  -0.360239D+00 -0.186177D+01  0.185441D+00  0.119798D+01  0.902174D+01
               101           102           103           104           105 
      1  -0.180251D+01  0.184095D+01 -0.532311D+01  0.239405D+01 -0.133641D+02
      2   0.121671D+02  0.122124D+02  0.142423D+02 -0.453039D+01  0.305357D+01
      3  -0.534211D+00 -0.266735D+01  0.480584D+01 -0.235157D+01  0.844167D+01
               106           107           108           109           110 
      1   0.377452D+01 -0.629104D+01  0.615894D+01 -0.738368D+00  0.170579D+01
      2   0.595215D+01  0.177783D+01  0.896235D+00 -0.667764D+01  0.257951D+01
      3  -0.358221D+01  0.661570D+01 -0.483944D+01  0.186847D+02  0.815386D+01
               111           112           113           114           115 
      1  -0.238670D+00  0.258839D+01 -0.440130D+01  0.303436D+01 -0.238467D+01
      2   0.184108D+01  0.239733D+01 -0.881522D+01  0.106077D+02 -0.646135D+01
      3  -0.190347D+01  0.177625D+02 -0.922898D+01  0.636496D+01 -0.176293D+01
               116           117           118           119           120 
      1   0.781172D+01  0.575191D+01  0.121106D+01 -0.947507D-01 -0.643380D-01
      2   0.126122D+02  0.161414D+02 -0.412163D+00 -0.191203D+00  0.961983D+00
      3   0.715097D+01 -0.106048D+02 -0.162902D+00 -0.183422D+00 -0.556794D+00
               121           122           123           124           125 
      1   0.402745D+00  0.258235D+01 -0.543962D+01  0.172198D+00 -0.528287D+00
      2  -0.614643D-01 -0.676735D+00  0.323371D+00 -0.144931D+01  0.198672D+00
      3   0.736889D+01 -0.131729D+01 -0.179061D+00 -0.148684D+01 -0.276882D+00
               126           127           128           129           130 
      1  -0.424406D-01  0.229037D+01 -0.419356D+01 -0.185203D+01 -0.276992D+01
      2   0.989298D-03  0.759427D+01 -0.285420D+01 -0.293667D+01 -0.404518D+01
      3  -0.163544D-01 -0.160663D+01 -0.548945D+00  0.753612D+00  0.241776D+01
               131           132           133           134           135 
      1   0.420254D+01  0.930796D+00 -0.190606D+01  0.427084D+01  0.278704D+01
      2   0.267508D+01  0.242665D+01 -0.639278D+01  0.242342D+01  0.280742D+01
      3  -0.191503D+00 -0.170821D+00  0.134702D+01  0.516098D+00 -0.612562D+00
               136           137           138           139           140 
      1  -0.180549D+01  0.427187D+01 -0.251998D+01  0.207361D+01 -0.247424D+01
      2  -0.152088D+02  0.106420D+01 -0.449742D+01  0.291322D+01 -0.169700D+01
      3   0.122474D+01 -0.272351D+01  0.119835D+01  0.542851D+00  0.611319D+00
               141           142           143           144           145 
      1   0.137596D+00 -0.167627D+01  0.269218D+01 -0.970881D+00  0.421883D+01
      2   0.209999D+01 -0.687098D+01  0.944412D+00 -0.420894D+01  0.143236D+02
      3  -0.326654D+00  0.300528D+00 -0.172861D+01  0.913447D+00 -0.555377D+01
               146           147           148           149           150 
      1  -0.482802D+01 -0.522183D+00 -0.368929D+01  0.481425D+01  0.826715D+00
      2  -0.605389D+01 -0.478672D+01 -0.704220D+01  0.521551D+01  0.306456D+01
      3   0.170981D+01  0.163960D+01  0.423526D+01 -0.272677D+01 -0.220207D+01
               151           152           153           154           155 
      1  -0.133787D+01  0.334854D+01  0.100003D+01  0.621276D+01  0.550424D+01
      2  -0.717141D+01  0.333873D+01  0.522200D+01 -0.878615D+01 -0.412211D+01
      3   0.219082D+01 -0.127621D+01 -0.180583D+01 -0.265532D+01 -0.554650D+01
               156           157           158           159           160 
      1   0.710196D+00  0.482573D+01  0.533181D+01  0.134929D+01  0.648807D+00
      2   0.162355D+01 -0.612012D+01 -0.194861D+01  0.781926D+00 -0.160492D+01
      3  -0.165506D+01 -0.147726D+01 -0.488704D+01 -0.246281D+01 -0.787718D-01
               161           162           163           164           165 
      1   0.218971D+01  0.889001D+00 -0.696539D+00  0.174369D+01 -0.831172D+00
      2  -0.358975D+00 -0.815282D+00  0.685680D+00 -0.176360D+00 -0.641681D-01
      3  -0.109932D+01 -0.504047D+00  0.583604D+00 -0.183201D+01  0.960717D+00
               166           167           168           169           170 
      1   0.284813D+01 -0.106399D+02  0.491940D+01 -0.199234D+01  0.754047D+01
      2   0.134820D+01  0.343553D+01 -0.625509D+01 -0.251619D+01 -0.272538D+01
      3  -0.119891D+00  0.719781D+01 -0.562135D+01  0.551234D+00 -0.421081D+01
               171           172           173           174           175 
      1  -0.566574D+01 -0.171588D+01  0.131499D+00 -0.254313D+00 -0.406829D-01
      2   0.563478D+01 -0.334573D+01  0.888327D+00  0.229665D-01  0.531006D+00
      3   0.460040D+01 -0.115479D+00 -0.100224D+01  0.783355D+00 -0.805423D+00
               176           177           178           179           180 
      1   0.103970D+00 -0.298434D+01  0.126327D+00  0.425498D+00 -0.832905D+01
      2  -0.275739D+01 -0.571133D+01 -0.187576D+01 -0.585930D+01 -0.206440D+02
      3   0.343741D+01  0.286175D+01  0.142286D+01  0.407677D+01  0.585728D+01
               181           182           183           184           185 
      1   0.118845D+01 -0.874423D+00  0.817956D+00 -0.176272D+01  0.366632D+01
      2   0.250576D+01 -0.177721D+01  0.204910D+01 -0.243549D+01  0.760046D+01
      3   0.116208D+01 -0.340974D+01  0.627527D+00 -0.403761D+01  0.166838D+02
               186           187           188           189           190 
      1  -0.585813D+01  0.123172D+01 -0.198795D+01  0.376435D+01 -0.370299D+00
      2  -0.720169D+01  0.180848D+01 -0.621504D+01  0.533358D+01  0.292956D+01
      3  -0.576200D+01  0.888000D+00 -0.830998D+01  0.528632D+01 -0.156985D+02
               191           192           193           194           195 
      1  -0.394246D+00  0.245824D+00 -0.540671D+00 -0.132512D+00 -0.100798D+01
      2   0.102838D+01  0.552255D+01  0.101049D+01  0.175130D+01  0.282644D+01
      3  -0.995909D+01 -0.505496D+00 -0.950202D+01 -0.804530D+01 -0.113263D+01
               196           197           198           199           200 
      1   0.943264D+00  0.418691D+00 -0.250019D+00  0.355755D+01  0.370239D+00
      2   0.220459D+01 -0.390028D-01  0.451706D-01  0.493365D+01 -0.960250D+00
      3  -0.441118D+00 -0.189178D+01 -0.106244D+01 -0.449050D+01 -0.348251D+01
               201           202           203           204           205 
      1   0.301409D+01 -0.799372D-01  0.425134D+00 -0.162788D+01  0.289095D+01
      2   0.656155D+01 -0.144615D+00  0.123760D+01 -0.926777D+00  0.395335D+01
      3  -0.240522D+01  0.514041D+00 -0.172560D+01 -0.648763D+00 -0.490995D+01
               206           207           208           209           210 
      1  -0.923067D-01  0.468926D+01  0.113896D+01 -0.252985D+01  0.142116D+01
      2  -0.192539D+01  0.756773D+01 -0.776711D+00  0.310543D+00  0.110782D+01
      3  -0.375669D+01 -0.133009D+01 -0.338404D+01  0.101753D+01 -0.138240D+01
               211           212           213           214           215 
      1  -0.158442D+01  0.476157D+01 -0.717940D+01  0.250529D+00 -0.498878D+01
      2   0.980598D+00  0.173510D+00 -0.898561D+00 -0.190920D+01 -0.112787D+00
      3   0.448006D+01 -0.778296D+00  0.933721D+00 -0.413606D+01  0.135471D+01
               216           217           218           219           220 
      1   0.750574D+01 -0.363176D+01 -0.293173D+01 -0.458990D+01 -0.221306D+01
      2   0.706798D+00  0.921406D-01 -0.342667D+00  0.697310D+00 -0.817489D+00
      3   0.371150D-01  0.551812D+01  0.486463D+00  0.350550D+01  0.341975D+01
               221           222           223           224           225 
      1  -0.495468D+01 -0.633037D+01 -0.420012D+01 -0.537994D+01 -0.117757D+02
      2  -0.759460D+00  0.303229D+00 -0.216949D+01 -0.233055D+00 -0.973008D+00
      3   0.269548D+01  0.263332D+01  0.636689D+01  0.304817D+01  0.355343D+01
               226           227           228           229           230 
      1  -0.173849D+01  0.423416D-01 -0.204281D+01 -0.377713D+00 -0.916488D+00
      2   0.342703D+01  0.969266D+00  0.471411D+01  0.858430D+00  0.188695D+01
      3   0.224437D+01 -0.103028D+01  0.683425D+00 -0.465834D+00 -0.111904D+01
               231           232           233           234           235 
      1  -0.783601D+00 -0.263923D+01  0.198207D+01 -0.100737D+02  0.391691D+01
      2  -0.562273D+00  0.340541D+01  0.123321D+01  0.218533D+02 -0.513100D+01
      3  -0.142566D+01  0.110923D+01 -0.388635D+01  0.152000D+01  0.148682D+02
               236           237           238           239           240 
      1  -0.146559D+01 -0.232070D+01 -0.118442D+01  0.139279D+01  0.546035D+00
      2   0.956450D+00  0.770276D+01  0.120747D+01 -0.191274D+01 -0.299052D+01
      3  -0.695591D+01 -0.511782D+01 -0.600625D+01  0.308106D+01  0.331183D+01
               241           242           243           244           245 
      1  -0.288340D+01  0.208385D+01  0.155623D+01  0.477543D+00  0.154716D+00
      2   0.482398D+01 -0.892002D+00 -0.404654D+01 -0.148179D+01  0.234927D+00
      3  -0.588312D+01  0.476325D+01  0.401046D+01 -0.217941D+01  0.106308D+01
               246           247           248           249           250 
      1   0.223771D+00 -0.130196D+00 -0.286821D+00 -0.453842D+01 -0.716011D+00
      2   0.627586D+00  0.273712D+00 -0.421127D+01  0.400349D+01  0.360109D+00
      3  -0.850216D+00  0.166484D+00 -0.268308D+02  0.473289D+01 -0.880750D+00
               251           252 
      1  -0.469324D+00  0.584045D+00
      2   0.338267D+01 -0.800867D+00
      3   0.603445D+01 -0.284620D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.390087D+01  0.879087D+01 -0.109868D+02  0.721122D+01 -0.178216D+01
      2   0.277350D+01 -0.604527D+01  0.615278D+01 -0.489254D+01  0.444804D+01
      3   0.112737D+01 -0.274561D+01  0.483400D+01 -0.231868D+01 -0.266589D+01
      4   0.143362D+02 -0.458170D+01 -0.692430D-01 -0.802207D+01 -0.928986D+01
      5  -0.285183D+01 -0.500527D+01 -0.142993D+02 -0.677490D+01  0.517133D+01
      6  -0.267234D-01  0.683743D+01  0.848421D+01  0.727706D+01 -0.632741D+01
                 6             7             8             9            10 
      1   0.970213D-01 -0.144842D+02 -0.157322D+01 -0.126906D+02 -0.201946D+01
      2  -0.141028D+01  0.980141D+01  0.196039D+01  0.654006D+01 -0.126582D+01
      3   0.131326D+01  0.468282D+01 -0.387170D+00  0.615053D+01  0.328529D+01
      4   0.791764D+01 -0.142668D+01  0.113990D+02  0.189526D+02 -0.195452D+02
      5   0.793622D+01 -0.213815D+02  0.129471D+02  0.367735D+01 -0.433959D+01
      6  -0.612140D+01  0.137189D+02 -0.765799D+01 -0.704433D+01 -0.682906D+00
                11            12            13            14            15 
      1  -0.114121D+02 -0.302405D+01 -0.152412D+02 -0.748362D+01 -0.225357D+01
      2   0.177512D+01  0.148160D+01  0.578966D+01  0.820041D+01  0.587682D+00
      3   0.963698D+01  0.154245D+01  0.945149D+01 -0.716788D+00  0.166589D+01
      4  -0.113166D+02 -0.227976D+01 -0.107145D+02  0.120751D+02 -0.401992D+00
      5   0.207233D+01  0.506972D+01  0.154388D+01 -0.108937D+01 -0.312587D+01
      6  -0.227774D+01  0.798560D+00 -0.102034D+01 -0.576646D+00 -0.180263D+01
                16            17            18            19            20 
      1  -0.220972D+01 -0.409656D+01  0.197771D+02 -0.456531D+01 -0.480293D+01
      2   0.119467D+01 -0.229934D+01  0.250926D+01  0.413984D+01  0.413240D+00
      3   0.101505D+01  0.639590D+01 -0.222864D+02  0.425469D+00  0.438969D+01
      4  -0.436726D+01 -0.470013D+01 -0.136996D+01  0.442652D+00 -0.377313D+01
      5   0.117560D+02 -0.257398D+01  0.143894D+02 -0.313773D+01  0.937470D+00
      6   0.161178D+01  0.792750D+00  0.121128D+02 -0.285381D+01 -0.145661D+02
                21            22            23            24            25 
      1   0.108589D+02 -0.674602D+01  0.176228D+02 -0.555712D+01  0.154169D+02
      2  -0.159072D+02  0.389757D+01 -0.210753D+02  0.717591D+01 -0.182925D+02
      3   0.504836D+01  0.284845D+01  0.345251D+01 -0.161878D+01  0.287557D+01
      4  -0.193131D+01  0.139139D+01  0.437270D+01 -0.129920D+02 -0.373739D+01
      5  -0.153931D+01  0.110783D+01 -0.663070D+01  0.234373D+00  0.621973D+00
      6   0.859318D+00 -0.137373D+02  0.122704D+02 -0.164340D+02 -0.278375D+01
                26            27            28            29            30 
      1  -0.849334D+01  0.157053D+02 -0.431652D+01 -0.125699D+01 -0.244207D+01
      2   0.101273D+02 -0.213943D+02  0.392197D+01  0.102727D+02  0.877653D+01
      3  -0.163395D+01  0.568905D+01  0.394553D+00 -0.901569D+01 -0.633446D+01
      4  -0.144675D+02 -0.320880D+01 -0.130225D+02 -0.125307D+02  0.129808D+02
      5  -0.640147D+00 -0.383167D+01  0.103396D+02  0.112127D+02 -0.107153D+02
      6  -0.255317D+02  0.133508D+01  0.833596D+01  0.119440D+02 -0.125195D+02
                31            32            33            34            35 
      1   0.127639D+01 -0.594948D+01  0.685223D+01 -0.298093D+01  0.129485D+02
      2   0.470982D+01  0.114884D+02 -0.513682D+01  0.776229D+01 -0.617336D+01
      3  -0.598622D+01 -0.553892D+01 -0.171541D+01 -0.478136D+01 -0.677517D+01
      4  -0.125514D+02 -0.598071D+01  0.578033D+01  0.179032D+02  0.638495D+01
      5   0.803757D+01  0.223956D+01 -0.289121D+01 -0.914746D+01 -0.282587D+01
      6   0.778196D+01  0.236361D+01 -0.606293D+01 -0.899283D+01  0.252530D+00
                36            37            38            39            40 
      1  -0.590406D+01  0.463815D+01  0.148962D+02  0.133632D+02  0.168240D+02
      2   0.857723D+01 -0.102891D+02 -0.101800D+02 -0.650837D+01 -0.877661D+01
      3  -0.267317D+01  0.565094D+01 -0.471615D+01 -0.685488D+01 -0.804743D+01
      4  -0.391348D-01  0.136687D+02 -0.837952D+00 -0.958787D+01  0.129432D+01
      5  -0.953252D+00  0.147415D+02 -0.395579D+01  0.713306D+01 -0.201897D+01
      6  -0.139134D+00 -0.171610D+01  0.282819D+00  0.331170D+01  0.351873D+01
                41            42            43            44            45 
      1  -0.194675D+01 -0.174504D+01  0.148137D+02 -0.518791D+01  0.580605D+01
      2  -0.131593D+00  0.599817D+01 -0.766278D+01  0.382400D+01 -0.117019D+01
      3   0.207835D+01 -0.425313D+01 -0.715091D+01  0.136391D+01 -0.463586D+01
      4  -0.467603D+01  0.956781D+01 -0.125286D+02  0.823112D+01 -0.108362D+02
      5   0.116628D+02 -0.702733D+01  0.420023D+01 -0.921035D+01 -0.538739D+01
      6  -0.362360D+00  0.640789D+01 -0.207581D+01 -0.300394D+00 -0.181853D+01
                46            47            48            49            50 
      1  -0.821922D+01 -0.673287D-01 -0.320418D+01  0.725497D+00  0.230469D+02
      2   0.519253D+01  0.463646D+01  0.448110D+01  0.900514D+00 -0.362247D+02
      3   0.302670D+01 -0.456913D+01 -0.127693D+01 -0.162601D+01  0.131778D+02
      4   0.389077D+01  0.304979D+01  0.282985D+01  0.334343D+01  0.134212D+01
      5  -0.605332D+01 -0.386300D+01 -0.364886D+01 -0.504290D+01 -0.730387D+01
      6   0.777352D-01  0.856431D+00 -0.455693D+01 -0.322904D+01 -0.399143D+01
                51            52            53            54            55 
      1  -0.655389D+01 -0.109504D+01 -0.159635D+01  0.201321D+00  0.559428D+01
      2  -0.877393D+00  0.412336D+01 -0.119159D+01  0.845994D+01  0.816766D+01
      3   0.743128D+01 -0.302831D+01  0.278795D+01 -0.866126D+01 -0.137619D+02
      4  -0.399035D+01  0.617618D+01  0.164261D+01  0.133694D+01  0.182150D+01
      5   0.897270D+00 -0.222406D+01  0.147970D+01 -0.183359D+01 -0.610774D+01
      6  -0.539304D-01  0.576389D-01  0.412322D+01 -0.218307D+01  0.769357D+00
                56            57            58            59            60 
      1  -0.717368D+01 -0.482328D+00 -0.666454D+01 -0.519536D+01  0.693850D+01
      2  -0.880929D+01 -0.313184D+00 -0.777076D+01 -0.115917D+01  0.539584D+01
      3   0.159830D+02  0.795512D+00  0.144353D+02  0.635453D+01 -0.123343D+02
      4  -0.143740D+01 -0.210724D+01 -0.104291D+01  0.177446D+01  0.353270D+01
      5   0.134985D+01 -0.137691D+02  0.299945D+01  0.719618D+01  0.100440D+02
      6   0.422814D+01  0.157688D+02  0.772357D+01  0.125747D+01  0.205147D+01
                61            62            63            64            65 
      1  -0.259321D+01  0.122385D+01 -0.223374D+01  0.103840D+02 -0.459218D+01
      2  -0.177554D+01  0.797836D+01 -0.123454D+01 -0.543271D+01  0.714502D+00
      3   0.436875D+01 -0.920221D+01  0.346827D+01 -0.495129D+01  0.387768D+01
      4  -0.668706D+01  0.110342D+00  0.422066D+01 -0.149105D+02  0.117153D+02
      5  -0.938266D+01  0.777742D+01  0.186870D+01 -0.120996D+02  0.664119D+01
      6   0.112132D+02 -0.139154D+01 -0.679272D+01  0.759879D+01 -0.630098D+01
                66            67            68            69            70 
      1  -0.401802D+01 -0.253475D+01 -0.333108D+01 -0.190914D+01 -0.564958D+01
      2   0.274992D+01 -0.118093D+01  0.781423D+01  0.293499D+01  0.489694D+01
      3   0.126810D+01  0.371568D+01 -0.448315D+01 -0.102585D+01  0.752645D+00
      4   0.857156D+01  0.136068D+02 -0.130466D+02 -0.108370D+02  0.135444D+02
      5   0.125908D+02  0.649893D+01 -0.904459D+01 -0.792318D+01  0.178558D+02
      6  -0.709057D+01 -0.739081D+01  0.107709D+02  0.104033D+02 -0.120201D+02
                71            72            73            74            75 
      1  -0.192143D+01 -0.314807D-02 -0.217639D+02  0.182329D+02  0.194729D+02
      2   0.229127D+01 -0.604076D+01  0.224130D+02 -0.571489D+01 -0.119243D+02
      3  -0.369842D+00  0.604391D+01 -0.649139D+00 -0.125181D+02 -0.754859D+01
      4  -0.148017D+02 -0.156202D+02  0.226569D+02  0.151994D+02 -0.713655D-03
      5  -0.115577D+02 -0.202129D+02  0.233291D+02 -0.470341D+01 -0.158694D+02
      6   0.135539D+02  0.176762D+02  0.435326D+01 -0.262231D+00 -0.396263D+01
                76            77            78            79            80 
      1   0.313575D+02  0.218809D+02 -0.953737D+01  0.232758D+02 -0.628653D+01
      2  -0.181236D+02 -0.310350D+02  0.115036D+02 -0.116274D+02  0.104927D+02
      3  -0.132340D+02  0.915408D+01 -0.196623D+01 -0.116484D+02 -0.420617D+01
      4   0.103298D+02 -0.270971D+02  0.940626D+01  0.333844D+01  0.104750D+02
      5  -0.630191D+01  0.109107D+02  0.405350D+01 -0.227465D+02 -0.458806D-01
      6   0.409544D+00  0.128503D+02 -0.899240D+00 -0.670434D+01 -0.180912D+01
                81            82            83            84            85 
      1  -0.172984D+02 -0.962309D+00  0.222845D+01 -0.233837D+01  0.204679D+01
      2   0.120766D+02 -0.291655D+01 -0.563149D+00  0.341071D+00 -0.690558D+00
      3   0.522180D+01  0.387886D+01 -0.166530D+01  0.199730D+01 -0.135624D+01
      4  -0.362523D+01  0.180109D+01  0.293711D+01 -0.910593D+00  0.413935D+01
      5  -0.265061D+02  0.141834D+00 -0.533290D+00  0.533997D+01 -0.370192D+00
      6  -0.129953D+02 -0.116103D+01  0.554355D+00 -0.659874D+00  0.435192D+00
                86            87            88            89            90 
      1  -0.355452D+01  0.317142D+01 -0.494992D+01  0.315369D+01 -0.204579D+02
      2   0.796229D+00 -0.725609D+00  0.109999D+01  0.144707D+01 -0.130694D+02
      3   0.275830D+01 -0.244581D+01  0.384993D+01 -0.460076D+01  0.335273D+02
      4   0.672926D+00 -0.255343D+01 -0.281182D+01 -0.423123D+01  0.199042D+01
      5  -0.216514D+01  0.266633D+01  0.429268D+01  0.345599D+01 -0.179620D+02
      6  -0.355989D+01  0.787998D+01  0.246712D+00  0.622307D+01 -0.120618D+02
                91            92            93            94            95 
      1   0.147935D+02  0.363399D+01 -0.219987D+01  0.591341D+00 -0.374476D+01
      2  -0.802910D+01  0.496323D+00  0.256463D+01  0.268992D+01  0.951982D+01
      3  -0.676443D+01 -0.413032D+01 -0.364756D+00 -0.328126D+01 -0.577506D+01
      4   0.228569D+02  0.179460D+02 -0.116855D+02  0.156581D+02  0.164180D+02
      5  -0.194381D+02 -0.118626D+02  0.152039D+02 -0.895640D+01 -0.966439D+01
      6  -0.123997D+02 -0.111963D+02  0.100004D+02 -0.981710D+01 -0.134588D+02
                96            97            98            99           100 
      1   0.188037D+01 -0.954669D+00  0.160724D+01 -0.240350D+01 -0.272708D+01
      2  -0.155385D+01  0.236140D+01  0.191273D+00 -0.503830D+01  0.484331D+01
      3  -0.326520D+00 -0.140673D+01 -0.179851D+01  0.744180D+01 -0.211623D+01
      4  -0.892706D+01 -0.979963D+01 -0.834195D+01  0.944912D+01 -0.193736D+02
      5   0.672982D+01  0.134915D+02  0.871587D+01 -0.117640D+02 -0.159853D+02
      6   0.100399D+02  0.947304D+01  0.100865D+02 -0.115600D+02 -0.167753D+02
               101           102           103           104           105 
      1  -0.199300D+02 -0.141360D+02 -0.234814D+02  0.282573D+01 -0.809107D+01
      2   0.493438D+01  0.302744D+01  0.571861D+01  0.879833D+01 -0.668843D+01
      3   0.149957D+02  0.111085D+02  0.177628D+02 -0.116241D+02  0.147795D+02
      4  -0.817484D+01 -0.184213D+01 -0.110792D+02  0.251795D+01 -0.147425D+02
      5  -0.116072D+02 -0.787877D+01 -0.119671D+02 -0.161480D+02  0.101028D+02
      6  -0.629917D+01  0.274148D+01 -0.974499D+01  0.673887D+01 -0.198067D+02
               106           107           108           109           110 
      1  -0.114663D+02 -0.358335D+01 -0.249904D+01 -0.230188D+02 -0.296728D+02
      2   0.268131D+01 -0.672896D+01 -0.537686D+01  0.167676D+02  0.176435D+02
      3   0.878498D+01  0.103123D+02  0.787590D+01  0.625119D+01  0.120292D+02
      4   0.266666D+01 -0.999857D+01  0.107347D+02 -0.281343D+02 -0.196188D+01
      5  -0.705855D+01  0.113284D+02  0.629119D+01 -0.107582D+02  0.740613D+01
      6   0.723640D+01 -0.136859D+02  0.136560D+02  0.595001D+01 -0.307745D+01
               111           112           113           114           115 
      1  -0.988590D+01 -0.392472D+02 -0.356238D+01  0.213991D+01 -0.114606D+02
      2   0.227545D+01  0.251311D+02 -0.714386D+01  0.634851D+01  0.125109D+01
      3   0.761046D+01  0.141161D+02  0.107062D+02 -0.848842D+01  0.102095D+02
      4   0.807795D+01 -0.100981D+02  0.170119D+02 -0.151643D+02  0.105860D+02
      5   0.132901D+01  0.903033D+01 -0.137879D+02  0.148811D+02 -0.260644D+01
      6   0.197196D+00 -0.450519D+01  0.895517D+01 -0.869471D+01  0.361610D+01
               116           117           118           119           120 
      1   0.235238D+01  0.662408D+01 -0.107093D+00  0.165917D+01 -0.320916D+00
      2   0.818566D+01 -0.643292D+01  0.401350D+01 -0.235596D+01 -0.607078D+00
      3  -0.105380D+02 -0.191154D+00 -0.390641D+01  0.696791D+00  0.927993D+00
      4  -0.164344D+02  0.165161D+02 -0.800573D-01  0.976315D+01 -0.105291D+01
      5   0.174430D+02  0.213730D+02  0.582280D+00  0.327930D+00  0.275187D+01
      6  -0.823035D+01 -0.905148D+01  0.161082D+00 -0.356257D+00 -0.721885D-03
               121           122           123           124           125 
      1   0.416894D+00 -0.293239D+02 -0.481527D+00 -0.637244D+00  0.107415D+00
      2   0.132736D+01  0.536047D+02 -0.494744D+00 -0.805482D+00 -0.159615D+01
      3  -0.174425D+01 -0.242808D+02  0.976270D+00  0.144273D+01  0.148874D+01
      4   0.815530D+01  0.132799D+01  0.280376D+00 -0.178574D+01 -0.561193D+00
      5   0.233594D+00  0.133269D+01  0.216708D+00  0.213670D+01  0.928935D-01
      6   0.416609D+00  0.529285D+01  0.655802D+01  0.710692D+00  0.812707D+01
               126           127           128           129           130 
      1  -0.422508D+01 -0.180980D+00  0.188326D+01  0.692382D+01  0.224650D+01
      2   0.379858D+01 -0.715733D+01  0.317347D+01  0.792941D+01  0.162715D+01
      3   0.426499D+00  0.733831D+01 -0.505674D+01 -0.148532D+02 -0.387365D+01
      4   0.282728D+00 -0.476388D+01  0.364119D+01  0.349346D+01  0.415159D+01
      5   0.108055D+01 -0.893474D+01  0.429518D+01  0.123127D+02  0.407428D+01
      6   0.604620D+00  0.528151D+01 -0.601946D+01 -0.771828D+01 -0.585567D+01
               131           132           133           134           135 
      1  -0.610858D+01 -0.930181D+01  0.411621D+01 -0.656588D+01 -0.171645D+02
      2  -0.167240D-01 -0.362432D+01  0.542069D+01 -0.436017D+01 -0.156502D+02
      3   0.612530D+01  0.129261D+02 -0.953690D+01  0.109261D+02  0.328147D+02
      4  -0.368311D+01 -0.341790D+01  0.314434D+01 -0.282729D+01 -0.451716D+01
      5  -0.507807D+01 -0.521447D+01  0.104688D+02 -0.516045D+01 -0.124531D+02
      6   0.111114D+02  0.130246D+02 -0.614704D+01  0.995075D+01  0.152261D+02
               136           137           138           139           140 
      1   0.177588D+01  0.166415D+01 -0.606948D+01  0.163903D+01 -0.161280D+01
      2  -0.107488D+02  0.142721D+01 -0.111400D+02  0.231475D+01  0.559333D+00
      3   0.897287D+01 -0.309136D+01  0.172095D+02 -0.395377D+01  0.105347D+01
      4   0.792266D+00  0.380848D+01 -0.227607D+00  0.352943D+01 -0.755195D+00
      5   0.189641D+02 -0.204514D+01  0.172278D+02 -0.377046D+01  0.253290D+01
      6  -0.252557D+01  0.400007D+01 -0.346313D+01  0.299931D+01 -0.382696D+01
               141           142           143           144           145 
      1   0.204375D+01 -0.251481D+01  0.717990D+00 -0.870153D+01 -0.781057D+01
      2   0.162884D+01 -0.780974D+01 -0.197075D+00 -0.120446D+02  0.169653D+01
      3  -0.367259D+01  0.103245D+02 -0.520915D+00  0.207461D+02  0.611404D+01
      4   0.113759D+01  0.320337D+00  0.136497D+01 -0.616052D+00  0.199277D+01
      5  -0.418467D+01  0.135681D+02 -0.213785D+01  0.140302D+02 -0.884337D+01
      6   0.567458D+01 -0.251471D+01  0.449443D+01 -0.168635D+01  0.654649D+01
               146           147           148           149           150 
      1   0.833248D+01  0.107655D+02  0.855560D+01 -0.851727D+01 -0.640526D+01
      2  -0.252315D+01  0.336834D+01 -0.348311D+01  0.332459D+01 -0.808155D+00
      3  -0.580933D+01 -0.141339D+02 -0.507249D+01  0.519268D+01  0.721341D+01
      4   0.485123D+00 -0.824848D+00  0.237759D+01  0.103017D+01  0.304638D+01
      5   0.403648D+01  0.173570D+01  0.566080D+01 -0.492819D+00 -0.630474D+00
      6  -0.578091D+01 -0.589106D+01 -0.369541D+01  0.708357D+01  0.927105D+01
               151           152           153           154           155 
      1   0.705275D+01 -0.570475D+01 -0.111084D+02  0.280339D+02  0.101248D+02
      2   0.128412D+01  0.401943D+00 -0.286102D+01 -0.163150D+02 -0.348352D+01
      3  -0.833687D+01  0.530281D+01  0.139694D+02 -0.117189D+02 -0.664127D+01
      4  -0.366054D+00  0.146941D+01  0.134363D+00  0.192310D+02  0.145349D+02
      5   0.527232D+01 -0.222467D+01 -0.259282D+01  0.280121D+02  0.126408D+02
      6  -0.507173D+01  0.782577D+01  0.584568D+01  0.122348D+02  0.984763D+01
               156           157           158           159           160 
      1   0.619170D+01  0.121427D+02  0.417871D+01  0.159793D+01  0.456364D+00
      2  -0.883722D+01 -0.434160D+01  0.255339D+00 -0.276224D+01 -0.398732D+01
      3   0.264552D+01 -0.780106D+01 -0.443405D+01  0.116431D+01  0.353095D+01
      4   0.714958D+01  0.165200D+02  0.145601D+02  0.807032D+01  0.225149D+01
      5   0.180681D+02  0.149500D+02  0.116187D+02  0.875876D+01  0.103189D+02
      6   0.592389D+01  0.104746D+02  0.989965D+01  0.921169D+01  0.360002D+01
               161           162           163           164           165 
      1  -0.110465D-01  0.163809D+01  0.169143D+01 -0.413023D+00  0.340763D+01
      2  -0.114663D+01 -0.406559D+01 -0.351308D+01  0.183613D+01 -0.426328D+01
      3   0.115767D+01  0.242750D+01  0.182165D+01 -0.142310D+01  0.855653D+00
      4   0.285906D+01  0.333193D+01 -0.181868D+01  0.541844D+01 -0.289997D+01
      5   0.416350D+01  0.742804D+01  0.759530D+01 -0.357628D+01  0.923697D+01
      6   0.555142D+01  0.285814D+01 -0.243291D+01  0.292730D+01 -0.242688D+01
               166           167           168           169           170 
      1  -0.121272D+00 -0.805209D+01  0.106796D+02  0.101489D+01  0.655212D+01
      2   0.320733D+01 -0.390602D+00  0.793280D+01 -0.467936D+01  0.526510D+01
      3  -0.308606D+01  0.844269D+01 -0.186124D+02  0.366448D+01 -0.118172D+02
      4   0.779343D+01 -0.133659D+02  0.106028D+02 -0.313097D+01  0.688509D+01
      5  -0.855999D+01  0.111541D+02 -0.157216D+02  0.931368D+01 -0.853828D+01
      6   0.658300D+01 -0.214772D+02  0.200063D+02 -0.399881D+01  0.142272D+02
               171           172           173           174           175 
      1  -0.118335D+02  0.208826D+01  0.124548D+01 -0.394089D+01  0.222319D+01
      2  -0.116664D+02 -0.306450D+01  0.193109D-01  0.304917D+01 -0.223002D+01
      3   0.235000D+02  0.976244D+00 -0.126479D+01  0.891715D+00  0.682458D-02
      4  -0.808858D+01  0.109715D+01  0.158127D+01  0.290034D+01  0.559235D+01
      5   0.152893D+02 -0.383170D+01  0.154237D+01  0.556483D+01  0.236084D+01
      6  -0.160046D+02  0.206428D+01 -0.347150D+00 -0.137807D+01 -0.162442D+01
               176           177           178           179           180 
      1  -0.187241D+01 -0.290012D+01 -0.945286D+01 -0.173525D+01 -0.661128D+01
      2   0.365359D+01  0.160048D+01  0.556261D+01  0.143396D+01 -0.495237D+01
      3  -0.178119D+01  0.129964D+01  0.389025D+01  0.301291D+00  0.115636D+02
      4  -0.845928D+01 -0.563785D+01  0.745832D+01 -0.885329D+01 -0.116295D+02
      5  -0.550707D+01 -0.991702D+01  0.122738D+02 -0.124143D+02 -0.339070D+02
      6   0.518145D+01  0.954550D+01 -0.436469D+01  0.995565D+01  0.172631D+02
               181           182           183           184           185 
      1   0.933558D+01 -0.421361D+01  0.397827D+01 -0.523693D+01 -0.294654D+01
      2  -0.189273D+01 -0.564343D+00 -0.806865D+00 -0.562930D+01  0.231899D+02
      3  -0.744285D+01  0.477796D+01 -0.317141D+01  0.108662D+02 -0.202434D+02
      4  -0.754276D+01  0.115199D+02 -0.515097D+01  0.219120D+02 -0.376138D+02
      5   0.447950D+01 -0.401902D+01  0.344778D+01 -0.609845D+01  0.119953D+02
      6  -0.305790D+01  0.143995D+01 -0.844642D+00  0.388689D+01 -0.984173D+01
               186           187           188           189           190 
      1   0.152116D+01  0.885188D+01  0.697247D+00 -0.194032D+01  0.686838D+02
      2  -0.711009D+01 -0.135355D+01 -0.851368D+01  0.331945D+01 -0.373842D+02
      3   0.558893D+01 -0.749833D+01  0.781643D+01 -0.137913D+01 -0.312996D+02
      4   0.128338D+02 -0.123486D+02  0.181658D+02 -0.118218D+02  0.809659D+01
      5  -0.116972D+02  0.766823D+01 -0.119943D+02  0.980133D+01 -0.807063D+00
      6   0.913898D+01 -0.471075D+01  0.980636D+01 -0.783921D+01 -0.153124D+01
               191           192           193           194           195 
      1   0.166490D+02  0.197253D+01  0.352912D+02  0.122454D+02  0.574327D+00
      2  -0.106273D+02 -0.793073D+00 -0.195577D+02 -0.521200D+01 -0.936476D+00
      3  -0.602172D+01 -0.117946D+01 -0.157336D+02 -0.703342D+01  0.362149D+00
      4   0.112985D+02  0.456706D-01  0.135311D+02  0.105387D+02  0.218085D+01
      5  -0.583230D+00  0.829156D+01 -0.176449D+01  0.139877D+01  0.473884D+01
      6  -0.629786D+00 -0.952457D+00 -0.723398D+00 -0.169803D+01  0.151617D+01
               196           197           198           199           200 
      1   0.629279D+01  0.331880D+00  0.580094D+01  0.244302D+02 -0.373596D+01
      2  -0.270405D+01 -0.153681D+01 -0.389132D+01 -0.126201D+02  0.267310D-01
      3  -0.358874D+01  0.120493D+01 -0.190963D+01 -0.118102D+02  0.370923D+01
      4  -0.986696D+00  0.318801D+01  0.324346D+00 -0.149658D+02  0.998010D+01
      5   0.102768D+02  0.118055D+01 -0.903306D-01  0.132935D+02 -0.240696D+01
      6  -0.401769D+00  0.196918D+01  0.890948D+00 -0.502160D+01  0.798698D+00
               201           202           203           204           205 
      1   0.104009D+02 -0.642442D+00  0.269420D+01  0.517033D+00  0.162897D+02
      2  -0.586114D+01 -0.127305D+01 -0.765526D+00 -0.936118D+00 -0.990130D+01
      3  -0.453981D+01  0.191549D+01 -0.192867D+01  0.419086D+00 -0.638838D+01
      4  -0.637202D+01  0.792232D+01 -0.332134D+01  0.331540D+01 -0.956518D+01
      5   0.113411D+02 -0.567738D+00  0.330348D+01 -0.222063D+01  0.140273D+02
      6  -0.460711D+01  0.174369D+01 -0.156569D+01  0.367847D+01 -0.652441D+01
               206           207           208           209           210 
      1   0.104620D+00  0.755748D+01 -0.155132D+01  0.469649D+01 -0.288198D+01
      2  -0.208139D+01 -0.670244D+01  0.512523D+01 -0.869522D+01  0.405723D+01
      3   0.197677D+01 -0.855040D+00 -0.357391D+01  0.399872D+01 -0.117525D+01
      4   0.697779D+01 -0.962083D+01 -0.692662D+01  0.123103D+02 -0.494489D+01
      5  -0.534804D+01  0.133383D+02  0.229243D+01 -0.388783D+01  0.422654D+01
      6   0.391812D+01 -0.613757D+01 -0.529795D+01  0.710160D+01 -0.375109D+01
               211           212           213           214           215 
      1   0.348987D+01 -0.303601D+02  0.128485D+02 -0.384633D+01  0.200208D+02
      2  -0.696547D+01  0.460812D+02 -0.165595D+02  0.565356D+01 -0.245701D+02
      3   0.347560D+01 -0.157211D+02  0.371100D+01 -0.180723D+01  0.454935D+01
      4   0.808769D+01 -0.119278D+02  0.587872D+01 -0.500438D+01  0.868264D+01
      5  -0.226611D+01  0.478143D+01 -0.261644D+01  0.375706D+01 -0.479592D+01
      6   0.547121D+01 -0.255848D+02  0.177164D+02 -0.421402D+01  0.256225D+02
               216           217           218           219           220 
      1  -0.157018D+02 -0.132880D+01 -0.511826D+01 -0.332825D+01 -0.320475D+01
      2   0.134351D+02  0.346367D+01  0.107415D+02  0.527254D+01  0.635560D+01
      3   0.226674D+01 -0.213487D+01 -0.562320D+01 -0.194429D+01 -0.315085D+01
      4  -0.485049D+01  0.789081D+01  0.845696D+01  0.536615D+01  0.587791D+01
      5   0.433631D+01  0.295145D+01  0.204724D+01  0.377246D+01  0.133999D+01
      6  -0.202965D+02  0.597162D+01  0.601330D+01  0.494512D+01  0.521423D+01
               221           222           223           224           225 
      1  -0.161880D+02 -0.685212D+01 -0.585475D+01 -0.121988D+02 -0.116330D+02
      2   0.251866D+02  0.993067D+01  0.556150D+01  0.170958D+02  0.112000D+02
      3  -0.899855D+01 -0.307855D+01  0.293254D+00 -0.489700D+01  0.433058D+00
      4   0.653536D+01  0.431252D+01  0.647946D+01  0.551768D+01  0.493187D+01
      5   0.228785D+01  0.108068D+01  0.369788D+01  0.165598D+01  0.304534D+01
      6   0.114583D+02  0.127205D+02  0.619963D+01  0.176802D+02  0.171545D+02
               226           227           228           229           230 
      1   0.104184D+02 -0.714875D+00  0.540286D+01 -0.550760D+01 -0.217529D+01
      2  -0.806190D+01  0.348829D+00 -0.384210D+01  0.378970D+01  0.318223D+01
      3  -0.235648D+01  0.366046D+00 -0.156076D+01  0.171789D+01 -0.100693D+01
      4   0.157345D+01  0.115942D+01  0.304225D+01  0.206009D+01  0.359393D+01
      5   0.639660D+01  0.166811D+01  0.122953D+02  0.771597D+00  0.343349D+01
      6   0.256795D+01  0.689469D+00  0.359376D+01  0.129231D+01  0.706436D+00
               231           232           233           234           235 
      1  -0.142556D+00  0.134704D+02  0.167634D+01  0.550975D+01  0.683626D+02
      2   0.105659D+01 -0.803254D+01  0.121441D+01 -0.116774D+02 -0.397886D+02
      3  -0.914033D+00 -0.543787D+01 -0.289074D+01  0.616761D+01 -0.285740D+02
      4   0.397831D+01  0.914939D+01  0.925282D+01  0.581646D+01  0.657421D+01
      5  -0.983110D-01  0.180650D+02  0.408102D+01  0.379679D+02 -0.266178D+02
      6   0.384953D+01  0.618000D+01  0.506951D+01  0.168615D+02 -0.430181D+01
               236           237           238           239           240 
      1  -0.677240D+01 -0.193364D+02 -0.223819D+02  0.525352D+01  0.602940D+01
      2   0.573058D+01  0.130200D+02  0.139757D+02 -0.172689D+01 -0.546028D+01
      3   0.104183D+01  0.631644D+01  0.840622D+01 -0.352664D+01 -0.569114D+00
      4   0.851913D+01 -0.144949D+01  0.627824D+01 -0.299152D+01 -0.418371D+01
      5   0.239890D+01  0.177865D+02  0.808656D+01 -0.527518D+01 -0.656077D+01
      6  -0.918198D+00  0.375199D+01 -0.650094D+00 -0.353667D+00  0.616968D+00
               241           242           243           244           245 
      1  -0.260947D+02  0.237947D+01  0.134476D+02  0.133379D+01  0.579338D+01
      2   0.176480D+02 -0.392255D+01 -0.123983D+02  0.141530D+01 -0.460512D+01
      3   0.844663D+01  0.154308D+01 -0.104935D+01 -0.274909D+01 -0.118825D+01
      4  -0.395011D+01 -0.701687D+01  0.104930D+01  0.232682D+01  0.435301D+01
      5   0.227867D+02 -0.181359D+01 -0.135902D+02 -0.270081D+01 -0.592934D+00
      6   0.413786D+01  0.221759D+01 -0.143345D+01 -0.212833D+01  0.510599D+00
               246           247           248           249           250 
      1  -0.332614D+01  0.499497D+01 -0.214166D+02  0.488289D+01 -0.521492D+01
      2   0.184830D+01  0.343486D+01  0.455296D+02 -0.709670D+01  0.192027D+01
      3   0.147784D+01 -0.842982D+01 -0.241129D+02  0.221381D+01  0.329466D+01
      4  -0.118572D+01  0.167746D+02  0.484027D+02 -0.838107D+01 -0.452205D+01
      5   0.184948D+01 -0.223596D+01 -0.883212D+01  0.748881D+01  0.551652D+01
      6  -0.553469D+00 -0.262161D+01 -0.133809D+02  0.941917D+01  0.248874D+01
               251           252 
      1   0.512437D+01 -0.222796D+01
      2  -0.754793D+01  0.318091D+01
      3   0.242356D+01 -0.952954D+00
      4  -0.103721D+02  0.677251D+01
      5   0.692575D+01 -0.222001D+01
      6   0.102225D+02 -0.450590D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.435381D-03      0.110663D-02      0.369132D-02
   y          0.345650D-01      0.878556D-01      0.293055D+00
   z          0.394025D-01      0.100151D+00      0.334068D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122105D+03      0.180941D+02      0.201325D+02
   yx        -0.124918D+00     -0.185110D-01     -0.205963D-01
   yy         0.109055D+03      0.161603D+02      0.179807D+02
   zx         0.628410D+00      0.931207D-01      0.103611D+00
   zy        -0.115230D+00     -0.170753D-01     -0.189988D-01
   zz         0.105096D+03      0.155736D+02      0.173280D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116246D+03      0.172258D+02      0.191663D+02
   aniso      0.163080D+02      0.241659D+01      0.268882D+01
   xx         0.126819D+03      0.187926D+02      0.209096D+02
   yx        -0.341357D-01     -0.505839D-02     -0.562822D-02
   yy         0.113063D+03      0.167543D+02      0.186416D+02
   zx         0.612558D+00      0.907717D-01      0.100997D+00
   zy        -0.652093D-01     -0.966302D-02     -0.107516D-01
   zz         0.108855D+03      0.161306D+02      0.179478D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.89938988          1.25505079          1.68977102
     6         -2.50302057         -1.25045656          0.21936361
     6         -0.48334272          2.86832662          2.03732938
     6          1.46379954          2.29146733         -0.01757844
     6          2.27887973         -0.54602714          0.07366511
     6         -0.17429523         -1.04637655         -1.49381017
     6          0.06446545          1.68920227         -2.52153335
     1         -3.78062086          0.86848788          3.51469629
     6         -4.86966676         -1.93446403         -1.28353076
     1         -2.16412252         -2.78110531          1.56444834
     1          2.97867149          3.69261183         -0.05096073
     6          2.59485097         -1.82374096          2.63327704
     6          4.66470237         -1.03383009         -1.48144267
     1         -0.10638463         -2.60546485         -2.84659226
     1          1.27572488          1.82127731         -4.17417637
     1         -1.67623718          2.72101427         -2.90575484
     1          0.98969729         -1.56434635          3.89105677
     1          4.26551797         -1.08393344          3.59769423
     1          2.87207004         -3.85669751          2.39119106
     1          4.59040970         -0.17719510         -3.35158912
     1          4.95723845         -3.06303116         -1.73351168
     1          6.32406432         -0.27738274         -0.51141232
     1         -4.27339435          2.37886122          0.63771247
     1         -0.99471972          4.86790299          1.96088672
     1          0.35849874          2.56171428          3.89581953
     1         -5.23613029         -0.53547761         -2.75884273
     1         -6.53218524         -2.00550346         -0.06142526
     1         -4.67000305         -3.77666064         -2.19231831

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524165D-01      0.133229D+00      0.444406D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122094D+03      0.180925D+02      0.201306D+02
   yx        -0.570272D+00     -0.845056D-01     -0.940252D-01
   yy         0.107451D+03      0.159226D+02      0.177163D+02
   zx         0.523973D+00      0.776448D-01      0.863915D-01
   zy         0.194152D+01      0.287703D+00      0.320113D+00
   zz         0.106711D+03      0.158129D+02      0.175943D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116246D+03      0.172258D+02      0.191663D+02
   aniso      0.163080D+02      0.241659D+01      0.268882D+01
   xx         0.126807D+03      0.187909D+02      0.209077D+02
   yx        -0.495356D+00     -0.734042D-01     -0.816732D-01
   yy         0.111301D+03      0.164931D+02      0.183510D+02
   zx         0.578940D+00      0.857901D-01      0.954543D-01
   zy         0.207236D+01      0.307092D+00      0.341686D+00
   zz         0.110629D+03      0.163935D+02      0.182402D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K08-03-01\Freq\RB3LYP\Gen\C10H18\PIERPA\16-Jul-2021\0\\#P
  B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSym
 m,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calcula
 tions.\\0,1\C,-1.52888,1.093729,0.246966\C,-1.321456,-0.416759,0.53461
 7\C,-0.251555,1.852797,-0.188359\C,0.77071,0.903021,-0.813047\C,1.2071
 11,-0.195282,0.209826\C,-0.097064,-0.937248,-0.228322\C,0.020234,-0.20
 8022,-1.592788\H,-1.986528,1.578225,1.111675\C,-2.579256,-1.209394,0.1
 85867\H,-1.133681,-0.556858,1.602321\H,1.569849,1.44626,-1.321922\C,1.
 387674,0.189094,1.672498\C,2.463556,-0.935948,-0.24905\H,-0.064495,-2.
 029648,-0.222695\H,0.653697,-0.734184,-2.30161\H,-0.904266,0.071251,-2
 .098034\H,0.543396,0.73385,2.089372\H,2.274733,0.817174,1.790633\H,1.5
 36666,-0.70458,2.284391\H,2.414606,-1.247642,-1.291582\H,2.620603,-1.8
 31637,0.357494\H,3.34463,-0.299271,-0.134439\H,-2.262427,1.175948,-0.5
 57656\H,-0.525798,2.622427,-0.914283\H,0.202587,2.37796,0.654229\H,-2.
 781972,-1.16707,-0.887575\H,-3.453499,-0.808443,0.704109\H,-2.474549,-
 2.259702,0.466325\\Version=ES64L-G16RevA.03\State=1-A\HF=-392.0750896\
 RMSD=7.830e-09\RMSF=1.768e-05\ZeroPoint=0.2598454\Thermal=0.2698432\Di
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 0086812,-0.0270846,0.0087065,0.0438792,0.0309435,0.0131455,0.1326729,0
 .1002899,0.068393,0.0096211,0.0120151,0.0752038,-0.0041057,-0.0214302,
 -0.0154139,0.1190769,0.0635542,0.0048434,0.0605302,0.0213047,0.0891068
 ,-0.0233257,0.0258531,0.0098315,0.1326024,0.1361011,0.0502327,-0.07646
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 814758,0.180912,-0.0171999,0.0219805,0.0002224,-0.0580864,0.2243935,-0
 .0158789,-0.0178776,-0.0336755,-0.0074754,0.1169342,-0.0896632,0.00320
 03,-0.0678536,-0.0410662,0.031373,0.0618668,-0.0052536,-0.0064187,-0.0
 179352,0.0371103,0.0682091,0.0429066,-0.0187184,-0.0529955,0.1246075,-
 0.0916194,-0.0764153,0.0180221,-0.0505197,-0.0283578,-0.0391087,0.0826
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 757341,0.0548044,-0.025558,0.0431379,0.0267664,-0.0072141,0.0140442,0.
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 .1432928,0.050048,0.0289594,0.0418756,-0.0851359,0.0108245,-0.0200702,
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 92177,0.0889417,-0.0395303,0.1207503,-0.0113775,-0.1369755,-0.0485897,
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    UPON JULIA'S CLOTHES

 WHENAS IN SILKS MY JULIA GOES,
 THEN, THEN, METHINKS, HOW SWEETLY FLOWS
 THAT LIQUEFACTION OF HER CLOTHES.

 NEXT, WHEN I CAST MINE EYES, AND SEE
 THAT BRAVE VIBRATION, EACH WAY FREE,
 O, HOW THAT GLITTERING TAKETH ME!
     -- ROBERT HERRICK, 1648
 Job cpu time:       0 days  5 hours 56 minutes 32.7 seconds.
 Elapsed time:       0 days  0 hours 44 minutes 55.3 seconds.
 File lengths (MBytes):  RWF=    382 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:55:01 2021.
